Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STL036327
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2)[N+](=O)[O-])Cl)nnc1c1ccc(cc1)C(C)(C)C
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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 C28H27ClN6O4S MW 579.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN6O4S/c1-28(2,3)20-8-6-19(7-9-20)26-32-33-27(34(26)21-10-12-22(39-4)13-11-21)40-17-25(36)31-30-16-18-5-14-23(29)24(15-18)35(37)38/h5-16H,17H2,1-4H3,(H,31,36)/b30-16+InChIKey
SWOYJVWLBBAGAX-OKCVXOCRSA-NSynonyms
(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(4chloro3nitrobenzylidene)acetohydrazide
2((5(4tertbutylphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)N((E)(4chloro3nitrophenyl)methylideneamino)acetamide
2((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)N((E)(4chloro3nitrophenyl)methylidene)acetohydrazide
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC28H27ClN6O4Sc128(23)208619(7920)26323327(34(26)21101222(394)131121)401725(36)3130161851423(29)24(1518)35(37)38h516H17H214H3(H3136)b3016+
MFCD03220020
N((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001885232
ZINC102947556
Check stock
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Check stock on Vitas-MAvailable files
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