Vitas-M small molecule compound

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

Catalog ID
STK106367
SMILES COc1cc(/C=N\NC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cc(c1OC)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 C31H35N5O4S MW 573.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O4S/c1-20-8-14-24(15-9-20)36-29(22-10-12-23(13-11-22)31(2,3)4)34-35-30(36)41-19-27(37)33-32-18-21-16-25(38-5)28(40-7)26(17-21)39-6/h8-18H,19H2,1-7H3,(H,33,37)/b32-18-
InChIKey
ATMCYPGNMOUMDD-CAQPMQTCSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(345trimethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(345TRIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)C(C)(C)C
COc1cc(C=NNC(=O)CSc2nnc(n2c2ccc(cc2)C)c2ccc(cc2)C(C)(C)C)cc(c1OC)OC
InChI=1SC31H35N5O4Sc12081424(15920)3629(22101223(131122)31(23)4)343530(36)411927(37)333218211625(385)28(407)26(1721)396h818H19H217H3(H3337)b3218
MFCD03219971
N((1Z)2(345TRIMETHOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100852155
ZINC01900704
ZINC1900704

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Available files

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