Vitas-M small molecule compound

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]-3-(4-methoxyphenyl)-N-[2-(4-oxoquinazolin-3(4H)-yl)ethyl]propanamide

Catalog ID
STL551605
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1cnc2c(c1=O)cccc2

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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 C38H41N3O8 MW 667.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N3O8/c1-24-9-8-12-27(42)11-5-3-4-10-26-21-32(43)35(36(45)34(26)38(47)49-24)30(25-15-17-28(48-2)18-16-25)22-33(44)39-19-20-41-23-40-31-14-7-6-13-29(31)37(41)46/h4,6-7,10,13-18,21,23-24,30,43,45H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,44)/b10-4
InChIKey
WXNNRTQMELGQPM-STAOBBDPSA-N
Synonyms

135639976
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2(4oxoquinazolin3(4H)yl)ethyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)~(N)(2(4oxoquinazolin3yl)ethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(2(4oxoquinazolin3(4H)yl)ethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCn1cnc2c(c1=O)cccc2
InChI=1SC38H41N3O8c124981227(42)1153410262132(43)35(36(45)34(26)38(47)4924)30(25151728(482)181625)2233(44)3919204123403114761329(31)37(41)46h467101318212324304345H35891112192022H212H3(H3944)b104+t2430?m0s1
ZINC001772492913
ZINC001772492914

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Available files

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