Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(2Z)-2-[(phenylcarbonyl)amino]-3-(thiophen-2-yl)prop-2-enoyl]hydrazinylidene}methyl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK671439
SMILES COc1cc(/C=N/NC(=O)/C(=C/c2cccs2)/NC(=O)c2ccccc2)ccc1OC(=O)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 C32H29N3O8S MW 615.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O8S/c1-39-26-15-20(12-13-25(26)43-32(38)22-16-27(40-2)29(42-4)28(17-22)41-3)19-33-35-31(37)24(18-23-11-8-14-44-23)34-30(36)21-9-6-5-7-10-21/h5-19H,1-4H3,(H,34,36)(H,35,37)/b24-18-,33-19+InChIKey
RRUMWJTZBUZJMJ-VIZQFIOSSA-NSynonyms
(4((E)(((Z)2benzamido3thiophen2ylprop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)345trimethoxybenzoate
2methoxy4((E)(2((2Z)2((phenylcarbonyl)amino)3(thiophen2yl)prop2enoyl)hydrazinylidene)methyl)phenyl345trimethoxybenzoate
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4)OC
COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cc(OC)c(c(c1)OC)OC
InChI=1SC32H29N3O8Sc139261520(121325(26)4332(38)221627(402)29(424)28(1722)413)19333531(37)24(1823118144423)3430(36)2196571021h519H14H3(H3436)(H3537)b24183319+
MFCD00819523
ZINC000100044832
ZINC102775868
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