Vitas-M small molecule compound

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

Catalog ID
STK107794
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1ccccc1

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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 C28H29N5OS MW 483.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5OS/c1-20-10-16-24(17-11-20)33-26(22-12-14-23(15-13-22)28(2,3)4)31-32-27(33)35-19-25(34)30-29-18-21-8-6-5-7-9-21/h5-18H,19H2,1-4H3,(H,30,34)/b29-18-
InChIKey
QSCFJPUVFLOYGX-MIXAMLLLSA-N
Synonyms

(E)Nbenzylidene2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)PHENYLMETHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H29N5OSc120101624(171120)3326(22121423(151322)28(23)4)313227(33)351925(34)302918218657921h518H19H214H3(H3034)b2918
MFCD03219955
N((1Z)2PHENYL1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((Z)BENZYLIDENEAMINO)2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1
ZINC000030743240
ZINC02344112
ZINC2344112

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Available files

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