Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Catalog ID
STL056449
SMILES COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(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 C28H29ClN4O2S MW 521.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O2S/c1-18-15-23(24(35-5)16-22(18)29)30-25(34)17-36-27-32-31-26(33(27)21-9-7-6-8-10-21)19-11-13-20(14-12-19)28(2,3)4/h6-16H,17H2,1-5H3,(H,30,34)InChIKey
PXAUXKVDJBMJPB-UHFFFAOYSA-NSynonyms
861645-77-42((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4chloro2methoxy5methylphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(4CHLORO2METHOXY5METHYLPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)N(4chloro2methoxy5methylphenyl)acetamide
2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))N(4CHLORO2METHOXY5METHYLPHENYL)ACETAMIDE
861645774
CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H29ClN4O2Sc1181523(24(355)1622(18)29)3025(34)173627323126(33(27)2197681021)19111320(141219)28(23)4h616H17H215H3(H3034)
MFCD05343046
ZINC000009309225
ZINC09309225
ZINC9309225
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