Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Catalog ID
STK231062
SMILES C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1c1ccc2c(c1)OCO2
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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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c1-2-9-25-19(13-7-8-16-17(10-13)28-12-27-16)23-24-20(25)29-11-18(26)22-15-6-4-3-5-14(15)21/h2-8,10H,1,9,11-12H2,(H,22,26)InChIKey
OFYWWACXKOHKAT-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2chlorophenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2CHLOROPHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCO4
InChI=1SC20H17ClN4O3Sc1292519(13781617(1013)28122716)232420(25)291118(26)2215643514(15)21h2810H191112H2(H2226)
MFCD07791854
ZINC000009290059
ZINC09290059
ZINC9290059
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