Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL562022
SMILES OCC(Cc1ccccc1)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)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 C37H40ClNO11 MW 710.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40ClNO11/c1-19-12-24(41)30(35(43)37(19)36(44)31-25(45-2)17-26(46-3)32(38)34(31)50-37)23(21-14-27(47-4)33(49-6)28(15-21)48-5)16-29(42)39-22(18-40)13-20-10-8-7-9-11-20/h7-11,14-15,17,19,22-23,40,43H,12-13,16,18H2,1-6H3,(H,39,42)/t19-,22-,23?,37InChIKey
QCXJKXTWDNMDRQ-RGPXDLDBSA-NSynonyms
145705374
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((R)1hydroxy3phenylpropan2yl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N((2R)1hydroxy3phenylpropan2yl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((2R)1hydroxy3phenylpropan2yl)3(345trimethoxyphenyl)propanamide
InChI=1SC37H40ClNO11c1191224(41)30(35(43)37(19)36(44)3125(452)1726(463)32(38)34(31)5037)23(211427(474)33(496)28(1521)485)1629(42)3922(1840)1320108791120h7111415171922234043H12131618H216H3(H3942)t192223?37+m1s1
MFCD32651076
OC(C@@H)(Cc1ccccc1)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC
ZINC001848443417
ZINC001848443418
Check stock
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