Vitas-M small molecule compound

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

Catalog ID
STK106734
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\C=C/c1ccccc1[N+](=O)[O-]

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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 C30H30N6O3S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N6O3S/c1-21-11-17-25(18-12-21)35-28(23-13-15-24(16-14-23)30(2,3)4)33-34-29(35)40-20-27(37)32-31-19-7-9-22-8-5-6-10-26(22)36(38)39/h5-19H,20H2,1-4H3,(H,32,37)/b9-7-,31-19-
InChIKey
RLCNGZAVISYBBC-RCZUZLKTSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N((E)3(2nitrophenyl)allylidene)acetohydrazide
2((5(4tertbutylphenyl)4(4methylphenyl)124triazol3yl)sulfanyl)N((Z)((Z)3(2nitrophenyl)prop2enylidene)amino)acetamide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z2Z)3(2NITROPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC=CC3=CC=CC=C3(N+)(=O)(O))C4=CC=C(C=C4)C(C)(C)C
InChI=1SC30H30N6O3Sc121111725(181221)3528(23131524(161423)30(23)4)333429(35)402027(37)32311979228561026(22)36(38)39h519H20H214H3(H3237)b973119
MFCD03219885
N((1Z3Z)4(2NITROPHENYL)1AZABUTA13DIENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=CC=Cc1ccccc1(N+)(=O)(O)
ZINC000097939497
ZINC101509967

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Available files

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