Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK101971
SMILES COc1c(/C=N\NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cccc1OC

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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 C30H33N5O3S MW 543.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O3S/c1-20-10-16-24(17-11-20)35-28(21-12-14-23(15-13-21)30(2,3)4)33-34-29(35)39-19-26(36)32-31-18-22-8-7-9-25(37-5)27(22)38-6/h7-18H,19H2,1-6H3,(H,32,36)/b31-18-
InChIKey
XXXDQPBTZNVDDP-MNBJERMJSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(23dimethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(23DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=C(C(=CC=C3)OC)OC)C4=CC=C(C=C4)C(C)(C)C
COc1c(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cccc1OC
InChI=1SC30H33N5O3Sc120101624(171120)3528(21121423(151321)30(23)4)333429(35)391926(36)3231182287925(375)27(22)386h718H19H216H3(H3236)b3118
MFCD03219979
N((1Z)2(23DIMETHOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100853197
ZINC01830995
ZINC1830995

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Available files

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