Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-3,6-dimethyl-2-[(4-nitrophenyl)carbonyl]-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Catalog ID
STL001237
SMILES C=CCOC(=O)C1=C(C)Nc2c(C1c1ccccc1Cl)c(C)c(s2)C(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C26H21ClN2O5S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5S/c1-4-13-34-26(31)21-15(3)28-25-20(22(21)18-7-5-6-8-19(18)27)14(2)24(35-25)23(30)16-9-11-17(12-10-16)29(32)33/h4-12,22,28H,1,13H2,2-3H3InChIKey
KICNEZCEBOXKBY-UHFFFAOYSA-NSynonyms
848680-41-1848680411
allyl4(2chlorophenyl)36dimethyl2(4nitrobenzoyl)47dihydrothieno(23b)pyridine5carboxylate
C=CCOC(=O)C1=C(C)Nc2c(C1c1ccccc1Cl)c(C)c(s2)C(=O)c1ccc(cc1)(N+)(=O)(O)
CC1=C(SC2=C1C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H21ClN2O5Sc14133426(31)2115(3)282520(22(21)18756819(18)27)14(2)24(3525)23(30)1691117(121016)29(32)33h4122228H113H223H3
MFCD04191118
prop2en1yl4(2chlorophenyl)36dimethyl2((4nitrophenyl)carbonyl)47dihydrothieno(23b)pyridine5carboxylate
PROP2ENYL4(2CHLOROPHENYL)36DIMETHYL2(4NITROBENZOYL)47DIHYDROTHIENO(23B)PYRIDINE5CARBOXYLATE
ZINC000013779212
ZINC000013779214
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