Vitas-M small molecule compound
N-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
Catalog ID
STK233017
SMILES C=CCn1c(nnc1c1ccncc1)SC(C(=O)Nc1cccc(c1)[N+](=O)[O-])CC
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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 C20H20N6O3S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O3S/c1-3-12-25-18(14-8-10-21-11-9-14)23-24-20(25)30-17(4-2)19(27)22-15-6-5-7-16(13-15)26(28)29/h3,5-11,13,17H,1,4,12H2,2H3,(H,22,27)InChIKey
DXBAFODETJLANG-UHFFFAOYSA-NSynonyms
C=CCn1c(nnc1c1ccncc1)SC(C(=O)Nc1cccc(c1)(N+)(=O)(O))CC
CCC(C(=O)NC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=C(N2CC=C)C3=CC=NC=C3
InChI=1SC20H20N6O3Sc13122518(148102111914)232420(25)3017(42)19(27)221565716(1315)26(28)29h35111317H1412H22H3(H2227)
MFCD06624372
N(3NITROPHENYL)2((4(PROP2EN1YL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)BUTANAMIDE
N(3NITROPHENYL)2((4PROP2ENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)BUTANAMIDE
ZINC000009427154
ZINC000009427155
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