Vitas-M small molecule compound
N-(4-methoxy-2-nitrophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL445325
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=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 C16H14N6O4S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O4S/c1-26-11-2-3-12(13(8-11)22(24)25)18-14(23)9-27-16-19-15(20-21-16)10-4-6-17-7-5-10/h2-8H,9H2,1H3,(H,18,23)(H,19,20,21)InChIKey
VJCFQUJVJCHNHY-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc((nH)1)c1ccncc1
InChI=1SC16H14N6O4Sc126112312(13(811)22(24)25)1814(23)927161915(202116)1046177510h28H9H21H3(H1823)(H192021)
MFCD05842224
N(4methoxy2nitrophenyl)2((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(4METHOXY2NITROPHENYL)2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000015919231
ZINC15919231
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