Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Catalog ID
STL293771
SMILES CCOc1ccccc1NC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)Cl
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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 C21H21ClN4O2S MW 428.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O2S/c1-3-13-26-20(15-9-11-16(22)12-10-15)24-25-21(26)29-14-19(27)23-17-7-5-6-8-18(17)28-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)InChIKey
WLXJWEYGKCCLNS-UHFFFAOYSA-NSynonyms
849034-72-62((4allyl5(4chlorophenyl)4H124triazol3yl)thio)N(2ethoxyphenyl)acetamide
2((5(4chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2ethoxyphenyl)acetamide
2((5(4CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2ETHOXYPHENYL)ACETAMIDE
2(5(4CHLOROPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(2ETHOXYPHENYL)ACETAMIDE
849034726
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4O2Sc13132620(1591116(22)121015)242521(26)291419(27)2317756818(17)2842h3512H141314H22H3(H2327)
MFCD05514679
ZINC000009307174
ZINC09307174
ZINC9307174
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