Vitas-M small molecule compound
7-methoxy-2-[(4-methylphenyl)sulfonyl]-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Catalog ID
STK773418
SMILES COc1cccc2c1Oc1cc(cc3c1C(=C2)CN3S(=O)(=O)c1ccc(cc1)C)[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 C23H18N2O6S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O6S/c1-14-6-8-18(9-7-14)32(28,29)24-13-16-10-15-4-3-5-20(30-2)23(15)31-21-12-17(25(26)27)11-19(24)22(16)21/h3-12H,13H2,1-2H3InChIKey
YSBAZEIRTFWJMX-UHFFFAOYSA-NSynonyms
7methoxy2((4methylphenyl)sulfonyl)4nitro12dihydro(1)benzoxepino(432cd)indole
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4=C(C(=CC=C4)OC)OC5=C3C2=CC(=C5)(N+)(=O)(O)
COc1cccc2c1Oc1cc(cc3c1C(=C2)CN3S(=O)(=O)c1ccc(cc1)C)(N+)(=O)(O)
InChI=1SC23H18N2O6Sc1146818(9714)32(2829)241316101543520(302)23(15)31211217(25(26)27)1119(24)22(16)21h312H13H212H3
MFCD03821781
ZINC000001080320
ZINC01080320
ZINC1080320
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