Vitas-M small molecule compound
1-(4-methoxy-3-nitrophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK060735
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)CSc1nnc([nH]1)c1ccncc1
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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 C16H13N5O4S MW 371.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O4S/c1-25-14-3-2-11(8-12(14)21(23)24)13(22)9-26-16-18-15(19-20-16)10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,19,20)InChIKey
QWVZQTKGZKJXIP-UHFFFAOYSA-NSynonyms
1(4METHOXY3NITROPHENYL)2((5(4PYRIDINYL)4H124TRIAZOL3YL)THIO)ETHANONE
1(4METHOXY3NITROPHENYL)2((5(PYRIDIN4YL)1H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4METHOXY3NITROPHENYL)2((5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4METHOXY3NITROPHENYL)2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ETHANONE
COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)CSc1nnc((nH)1)c1ccncc1
InChI=1SC16H13N5O4Sc125143211(812(14)21(23)24)13(22)926161815(192016)1046177510h28H9H21H3(H181920)
MFCD02366557
STK060735
ZINC000018115974
ZINC18115974
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