Vitas-M small molecule compound
N-[1-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]thiophene-2-carboxamide
Catalog ID
STL196826
SMILES O=C(Nc1nc2c(s1)cccc2)CSc1nnc(n1C)C(C(C)C)NC(=O)c1cccs1
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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 C21H22N6O2S3 MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2S3/c1-12(2)17(24-19(29)15-9-6-10-30-15)18-25-26-21(27(18)3)31-11-16(28)23-20-22-13-7-4-5-8-14(13)32-20/h4-10,12,17H,11H2,1-3H3,(H,24,29)(H,22,23,28)InChIKey
WKZSBPYHBMXSIX-UHFFFAOYSA-NSynonyms
CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CS4
InChI=1SC21H22N6O2S3c112(2)17(2419(29)1596103015)18252621(27(18)3)311116(28)23202213745814(13)3220h4101217H11H213H3(H2429)(H222328)
MFCD05742020
N(1(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)2METHYLPROPYL)2THIOPHENECARBOXAMIDE
N(1(5((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)2methylpropyl)thiophene2carboxamide
N(1(5(2(13benzothiazol2ylamino)2oxoethyl)sulfanyl4methyl124triazol3yl)2methylpropyl)thiophene2carboxamide
ZINC000008442092
ZINC000008442094
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