Vitas-M small molecule compound
ethyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL540548
SMILES CCOC(=O)c1cs/c(=N\C(=O)C(C(C)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1
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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 C32H38N4O8S MW 638.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S/c1-8-44-31(40)23-15-45-32(35-23)36-30(39)27(16(2)3)34-22-12-10-19-20(14-24(22)38)21(33-17(4)37)11-9-18-13-25(41-5)28(42-6)29(43-7)26(18)19/h10,12-16,21,27H,8-9,11H2,1-7H3,(H,33,37)(H,34,38)(H,35,36,39)InChIKey
IGOOONHBWIMRIG-UHFFFAOYSA-NSynonyms
75531914
ethyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)valyl)imino)23dihydro13thiazole4carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)13thiazole4carboxylate
InChI=1SC32H38N4O8Sc184431(40)23154532(3523)3630(39)27(16(2)3)342212101920(1424(22)38)21(3317(4)37)119181325(415)28(426)29(437)26(18)19h1012162127H8911H217H3(H3337)(H3438)(H353639)
MFCD31755111
ZINC000150653082
ZINC000206238708
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