Vitas-M small molecule compound
2-[4-(dipropylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK725075
SMILES CCCN(C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc(cc2)[N+](=O)[O-])S(=O)(=O)c2c1cccc2)CCC
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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 C29H29N3O6S MW 547.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6S/c1-3-18-30(19-4-2)27-24-12-8-9-13-26(24)39(37,38)31(28(27)29(34)22-10-6-5-7-11-22)20-25(33)21-14-16-23(17-15-21)32(35)36/h5-17H,3-4,18-20H2,1-2H3InChIKey
HIOYXLHVONBGRG-UHFFFAOYSA-NSynonyms
2(3benzoyl4(dipropylamino)11dioxido2Hbenzo(e)(12)thiazin2yl)1(4nitrophenyl)ethanone
2(3benzoyl4(dipropylamino)11dioxo1$l^(6)2benzothiazin2yl)1(4nitrophenyl)ethanone
2(4(dipropylamino)11dioxido3(phenylcarbonyl)2H12benzothiazin2yl)1(4nitrophenyl)ethanone
CCCN(C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc(cc2)(N+)(=O)(O))S(=O)(=O)c2c1cccc2)CCC
CCCN(CCC)C1=C(N(S(=O)(=O)C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=CC=C4
InChI=1SC29H29N3O6Sc131830(1942)272412891326(24)39(3738)31(28(27)29(34)22106571122)2025(33)21141623(171521)32(35)36h517H341820H212H3
MFCD02235986
ZINC000001819272
ZINC01819272
ZINC1819272
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