Vitas-M small molecule compound
2-[(4-nitrophenyl)amino]-2-oxoethyl {[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetate
Catalog ID
STK126048
SMILES C=CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)[N+](=O)[O-])nn2
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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 C22H18N6O5S MW 478.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O5S/c1-2-11-27-17-6-4-3-5-16(17)20-21(27)24-22(26-25-20)34-13-19(30)33-12-18(29)23-14-7-9-15(10-8-14)28(31)32/h2-10H,1,11-13H2,(H,23,29)InChIKey
TYEDEPDEJDYPRT-UHFFFAOYSA-NSynonyms
(2(4NITROANILINO)2OXOETHYL)2((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
(N(4NITROPHENYL)CARBAMOYL)METHYL2(5PROP2ENYL124TRIAZINO(56B)INDOL3YLTHIO)ACETATE
2((4NITROPHENYL)AMINO)2OXOETHYL((5(PROP2EN1YL)5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
2(4NITROANILINO)2OXOETHYL((5ALLYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ACETATE
C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
C=CCn1c2ccccc2c2c1nc(SCC(=O)OCC(=O)Nc1ccc(cc1)(N+)(=O)(O))nn2
InChI=1SC22H18N6O5Sc12112717643516(17)2021(27)2422(262520)341319(30)331218(29)23147915(10814)28(31)32h210H11113H2(H2329)
MFCD02734361
ZINC000006073590
ZINC06073590
ZINC6073590
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