Vitas-M small molecule compound
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}acetamide
Catalog ID
STK359481
SMILES O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CSc1[nH]nc(n1)N
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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 C13H11N7O5S3 MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N7O5S3/c14-11-17-13(19-18-11)26-6-9(21)16-12-15-5-10(27-12)28(24,25)8-3-1-7(2-4-8)20(22)23/h1-5H,6H2,(H,15,16,21)(H3,14,17,18,19)InChIKey
NCBPZTSUOWVZKB-UHFFFAOYSA-NSynonyms
2((3amino1H124triazol5yl)sulfanyl)N(5((4nitrophenyl)sulfonyl)13thiazol2yl)acetamide
2((5amino1H124triazol3yl)sulfanyl)N(5(4nitrophenyl)sulfonyl13thiazol2yl)acetamide
C1=CC(=CC=C1(N+)(=O)(O))S(=O)(=O)C2=CN=C(S2)NC(=O)CSC3=NNC(=N3)N
InChI=1SC13H11N7O5S3c14111713(191811)2669(21)161215510(2712)28(2425)8317(248)20(22)23h15H6H2(H151621)(H314171819)
MFCD11696244
O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))CSc1(nH)nc(n1)N
ZINC000020096338
ZINC20096338
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