Vitas-M small molecule compound

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

Catalog ID
STK102727
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccc(c(c2)OC)OC)/C)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 C31H35N5O4S MW 573.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O4S/c1-20(22-10-17-26(39-6)27(18-22)40-7)32-33-28(37)19-41-30-35-34-29(21-8-11-23(12-9-21)31(2,3)4)36(30)24-13-15-25(38-5)16-14-24/h8-18H,19H2,1-7H3,(H,33,37)/b32-20-
InChIKey
WGOAFFTVKPMBSV-RGXNXFOYSA-N
Synonyms

(E)2((5(4(tertbutyl)phenyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(1(34dimethoxyphenyl)ethylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1(34DIMETHOXYPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1(34DIMETHOXYPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC
COc1ccc(cc1)n1c(SCC(=O)NN=C(c2ccc(c(c2)OC)OC)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC31H35N5O4Sc120(22101726(396)27(1822)407)323328(37)194130353429(2181123(12921)31(23)4)36(30)24131525(385)161424h818H19H217H3(H3337)b3220
MFCD03220041
N((1Z)2(34DIMETHOXYPHENYL)1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000100852100
ZINC101505927

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Available files

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