Vitas-M small molecule compound
4-nitro-N-[4-oxo-3-(3,4,5-trimethoxyphenyl)-4H-thiochromen-2-yl]benzamide
Catalog ID
STK715735
SMILES COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c(c1=O)cccc2
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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 C25H20N2O7S MW 492.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7S/c1-32-18-12-15(13-19(33-2)23(18)34-3)21-22(28)17-6-4-5-7-20(17)35-25(21)26-24(29)14-8-10-16(11-9-14)27(30)31/h4-13H,1-3H3,(H,26,29)InChIKey
CCOHJRCIYYMRCZ-UHFFFAOYSA-NSynonyms
879456-92-54nitroN(4oxo3(345trimethoxyphenyl)4Hthiochromen2yl)benzamide
4NITRON(4OXO3(345TRIMETHOXYPHENYL)THIOCHROMEN2YL)BENZAMIDE
879456925
COC1=CC(=CC(=C1OC)OC)C2=C(SC3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1c(NC(=O)c2ccc(cc2)(N+)(=O)(O))sc2c(c1=O)cccc2
InChI=1SC25H20N2O7Sc132181215(1319(332)23(18)343)2122(28)17645720(17)3525(21)2624(29)1481016(11914)27(30)31h413H13H3(H2629)
MFCD06776729
ZINC000101331316
ZINC101331316
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