Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(2-chlorophenyl)ethylidene]acetohydrazide
Catalog ID
STK025274
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C(/c1ccccc1Cl)\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 C28H28ClN5OS MW 518.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5OS/c1-19(23-12-8-9-13-24(23)29)30-31-25(35)18-36-27-33-32-26(34(27)22-10-6-5-7-11-22)20-14-16-21(17-15-20)28(2,3)4/h5-17H,18H2,1-4H3,(H,31,35)/b30-19+InChIKey
HXWWRKFZQHDBCX-NDZAJKAJSA-NSynonyms
(Z)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(1(2chlorophenyl)ethylidene)acetohydrazide
2((5(4tertbutylphenyl)4phenyl124triazol3yl)sulfanyl)N((E)1(2chlorophenyl)ethylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E)1(2CHLOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4Cl
InChI=1SC28H28ClN5OSc119(2312891324(23)29)303125(35)183627333226(34(27)22106571122)20141621(171520)28(23)4h517H18H214H3(H3135)b3019+
MFCD02675693
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=C(c1ccccc1Cl)C
STK025274
ZINC000009113642
ZINC13597242
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