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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552107
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C43H51N3O12 MW 801.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H51N3O12/c1-24-12-11-15-28(47)14-10-8-9-13-26-18-32(48)39(40(50)38(26)43(52)58-24)29(27-19-35(55-5)41(57-7)36(20-27)56-6)22-37(49)44-16-17-46-25(2)45-31-23-34(54-4)33(53-3)21-30(31)42(46)51/h9,13,18-21,23-24,29,48,50H,8,10-12,14-17,22H2,1-7H3,
InChIKey
RVBIMVVPOBGNIJ-YIZHYUSMSA-N
Synonyms

135640401
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(67dimethoxy2methyl4oxoquinazolin3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(67dimethoxy2methyl4oxoquinazolin3(4H)yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
InChI=1SC43H51N3O12c12412111528(47)14108913261832(48)39(40(50)38(26)43(52)5824)29(271935(555)41(577)36(2027)566)2237(49)4416174625(2)45312334(544)33(533)2130(31)42(46)51h91318212324294850H81012141722H217H3(H4449)b139+t2429?m0s1
ZINC001547139521
ZINC001547139522

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Available files

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