Vitas-M small molecule compound
N-{[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK230195
SMILES O=C(Nc1ccccc1Cl)CSc1nnc(n1C)CNC(=O)c1ccc2c(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 C20H18ClN5O4S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O4S/c1-26-17(9-22-19(28)12-6-7-15-16(8-12)30-11-29-15)24-25-20(26)31-10-18(27)23-14-5-3-2-4-13(14)21/h2-8H,9-11H2,1H3,(H,22,28)(H,23,27)InChIKey
IOPZNJJDSQLUDO-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5((2CHLOROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H18ClN5O4Sc12617(92219(28)12671516(812)30112915)242520(26)311018(27)2314532413(14)21h28H911H21H3(H2228)(H2327)
MFCD07792025
N((5((2((2CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(2CHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009260649
ZINC09260649
ZINC9260649
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