Vitas-M small molecule compound
2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK497673
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)c1cccnc1
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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 C16H13N5O3S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c1-20-15(12-5-3-7-17-9-12)18-19-16(20)25-10-14(22)11-4-2-6-13(8-11)21(23)24/h2-9H,10H2,1H3InChIKey
BSXLBKUFYGFBHE-UHFFFAOYSA-NSynonyms
2((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((4methyl5pyridin3yl124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CN=CC=C3
InChI=1SC16H13N5O3Sc12015(1253717912)181916(20)251014(22)1142613(811)21(23)24h29H10H21H3
MFCD11855036
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)c1cccnc1
ZINC000032579393
ZINC32579393
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