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Vitas-M small molecule compound

methyl 2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}amino)-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate

Catalog ID
STL550594
SMILES COC(=O)c1nc(sc1CCc1ccccc1)NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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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 C39H44N4O8S MW 728.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44N4O8S/c1-21(2)33(37(46)43-39-42-34(38(47)51-7)31(52-39)18-13-23-11-9-8-10-12-23)41-28-17-15-25-26(20-29(28)45)27(40-22(3)44)16-14-24-19-30(48-4)35(49-5)36(50-6)32(24)25/h8-12,15,17,19-21,27,33H,13-14,16,18H2,1-7H3,(H,40,44)(H,41,45)(H,42,43
InChIKey
ZMXHEIFUXYXSJO-CMVGPNDKSA-N
Synonyms

127252571
COC(=O)c1nc(sc1CCc1ccccc1)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H44N4O8Sc121(2)33(37(46)43394234(38(47)517)31(5239)1813231198101223)412817152526(2029(28)45)27(4022(3)44)1614241930(484)35(495)36(506)32(24)25h812151719212733H13141618H217H3(H4044)(H4145)(H424346)t2733m0s1
methyl2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)5(2phenylethyl)13thiazole4carboxylate
methyl2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)amino)5(2phenylethyl)13thiazole4carboxylate
methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)5phenethylthiazole4carboxylate
ZINC000604406052
ZINC604406052

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Available files

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