Vitas-M small molecule compound
2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK076560
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1Cc1ccco1)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 C20H15N5O4S MW 421.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O4S/c26-18(15-3-1-4-16(11-15)25(27)28)13-30-20-23-22-19(14-6-8-21-9-7-14)24(20)12-17-5-2-10-29-17/h1-11H,12-13H2InChIKey
SNPVLGUNUSTUJR-UHFFFAOYSA-NSynonyms
2((4(FURAN2YLMETHYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((4(furan2ylmethyl)5(pyridin4yl)4H124triazol3yl)thio)1(3nitrophenyl)ethanone
2((4(FURAN2YLMETHYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4
InChI=1SC20H15N5O4Sc2618(1531416(1115)25(27)28)133020232219(1468219714)24(20)121752102917h111H1213H2
MFCD02924622
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1Cc1ccco1)c1ccncc1
STK076560
ZINC000001139191
ZINC01139191
ZINC1139191
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