Vitas-M small molecule compound

2-[(4-methylphenyl)sulfonyl]-4-nitro-7-(prop-2-en-1-yl)-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole

Catalog ID
STK773419
SMILES C=CCc1cccc2c1Oc1cc(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 C25H20N2O5S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5S/c1-3-5-17-6-4-7-18-12-19-15-26(33(30,31)21-10-8-16(2)9-11-21)22-13-20(27(28)29)14-23(24(19)22)32-25(17)18/h3-4,6-14H,1,5,15H2,2H3
InChIKey
WIWBXNOYVQZJEN-UHFFFAOYSA-N
Synonyms

2((4methylphenyl)sulfonyl)4nitro7(prop2en1yl)12dihydro(1)benzoxepino(432cd)indole
C=CCc1cccc2c1Oc1cc(cc3c1C(=C2)CN3S(=O)(=O)c1ccc(cc1)C)(N+)(=O)(O)
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC4=C(C(=CC=C4)CC=C)OC5=C3C2=CC(=C5)(N+)(=O)(O)
InChI=1SC25H20N2O5Sc135176471812191526(33(3031)2110816(2)91121)221320(27(28)29)1423(24(19)22)3225(17)18h34614H1515H22H3
MFCD03821782
ZINC000001080322
ZINC01080322
ZINC1080322

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Available files

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