Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL348007
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1ccc(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 C25H21ClN4O4S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O4S/c1-2-32-20-10-8-19(9-11-20)30-24(16-3-5-17(26)6-4-16)28-29-25(30)35-14-23(31)27-18-7-12-21-22(13-18)34-15-33-21/h3-13H,2,14-15H2,1H3,(H,27,31)InChIKey
SDHAMFQFEQPWAF-UHFFFAOYSA-NSynonyms
861635-79-2861635792
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl
InChI=1SC25H21ClN4O4Sc12322010819(91120)3024(163517(26)6416)282925(30)351423(31)27187122122(1318)34153321h313H21415H21H3(H2731)
MFCD05685375
N(13BENZODIOXOL5YL)2((5(4CHLOROPHENYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(2HBENZO(34D)13DIOXOLEN5YL)2(5(4CHLOROPHENYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol3yl)thio)acetamide
ZINC000009309061
ZINC09309061
ZINC9309061
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