Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-chlorophenyl)acetamide
Catalog ID
STK221906
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)CC(=O)Nc1ccccc1Cl
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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(9-18(27)23-14-5-3-2-4-13(14)21)24-25-20(26)31-10-19(28)22-12-6-7-15-16(8-12)30-11-29-15/h2-8H,9-11H2,1H3,(H,22,28)(H,23,27)InChIKey
PTMPSAUXDUIAEH-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2CHLOROPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2CHLOROPHENYL)ACETAMIDE
2(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(2CHLOROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4Cl
InChI=1SC20H18ClN5O4Sc12617(918(27)2314532413(14)21)242520(26)311019(28)2212671516(812)30112915h28H911H21H3(H2228)(H2327)
MFCD07399312
ZINC000009302517
ZINC09302517
ZINC9302517
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