Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK030874
SMILES COc1ccc(c(c1)OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(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 C29H31N5O3S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S/c1-29(2,3)22-14-11-20(12-15-22)27-32-33-28(34(27)23-9-7-6-8-10-23)38-19-26(35)31-30-18-21-13-16-24(36-4)17-25(21)37-5/h6-18H,19H2,1-5H3,(H,31,35)/b30-18+
InChIKey
VTMNWRQUGGAPGV-UXHLAJHPSA-N
Synonyms
304451-22-7
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(24dimethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(24DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(24DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
304451227
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C=C(C=C4)OC)OC
COc1ccc(c(c1)OC)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI=1SC29H31N5O3Sc129(23)22141120(121522)27323328(34(27)2397681023)381926(35)31301821131624(364)1725(21)375h618H19H215H3(H3135)b3018+
MFCD02641894
STK030874
ZINC000002326459
ZINC33360664

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Available files

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