Vitas-M small molecule compound
(Z)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)isoleucinamide
Catalog ID
STL542365
SMILES CCC(C(C(=O)/N=c\1/[nH]c(c(s1)C)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C32H40N4O6S MW 608.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N4O6S/c1-9-16(2)28(31(39)36-32-33-17(3)18(4)43-32)35-24-13-11-21-22(15-25(24)38)23(34-19(5)37)12-10-20-14-26(40-6)29(41-7)30(42-8)27(20)21/h11,13-16,23,28H,9-10,12H2,1-8H3,(H,34,37)(H,35,38)(H,33,36,39)InChIKey
HTZCLRPIRUEEKE-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(45dimethyl13thiazol2(3H)ylidene)isoleucinamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(45dimethyl13thiazol2yl)3methylpentanamide
75531907
InChI=1SC32H40N4O6Sc1916(2)28(31(39)36323317(3)18(4)4332)352413112122(1525(24)38)23(3419(5)37)1210201426(406)29(417)30(428)27(20)21h1113162328H91012H218H3(H3437)(H3538)(H333639)
MFCD31755598
ZINC000206238360
ZINC000253369749
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