Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STL293704
SMILES CCOc1ccc(cc1)NC(=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(15-5-7-16(22)8-6-15)24-25-21(26)29-14-19(27)23-17-9-11-18(12-10-17)28-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)InChIKey
FMUQBBBKZZHWHL-UHFFFAOYSA-NSynonyms
862127-90-02((4allyl5(4chlorophenyl)4H124triazol3yl)thio)N(4ethoxyphenyl)acetamide
2((5(4chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((5(4CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4ETHOXYPHENYL)ACETAMIDE
2(5(4CHLOROPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4ETHOXYPHENYL)ACETAMIDE
862127900
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl
InChI=1SC21H21ClN4O2Sc13132620(155716(22)8615)242521(26)291419(27)231791118(121017)2842h3512H141314H22H3(H2327)
MFCD04338223
ZINC000009498898
ZINC09498898
ZINC9498898
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