Vitas-M small molecule compound
3-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-chlorophenyl)propanamide
Catalog ID
STK246196
SMILES O=C(Nc1nc2c(s1)cccc2)CSc1nnc(n1C)CCC(=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 C21H19ClN6O2S2 MW 487.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2S2/c1-28-17(10-11-18(29)23-14-7-3-2-6-13(14)22)26-27-21(28)31-12-19(30)25-20-24-15-8-4-5-9-16(15)32-20/h2-9H,10-12H2,1H3,(H,23,29)(H,24,25,30)InChIKey
KHZTXOQKVBZDFZ-UHFFFAOYSA-NSynonyms
3(5((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(2chlorophenyl)propanamide
3(5(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl4methyl124triazol3yl)N(2chlorophenyl)propanamide
3(5(BENZOTHIAZOL2YLCARBAMOYLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(2CHLOROPHENYL)PROPIONAMIDE
CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CCC(=O)NC4=CC=CC=C4Cl
InChI=1SC21H19ClN6O2S2c12817(101118(29)2314732613(14)22)262721(28)311219(30)25202415845916(15)3220h29H1012H21H3(H2329)(H242530)
MFCD08683844
ZINC000009328995
ZINC09328995
ZINC9328995
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