Vitas-M small molecule compound
2-{4-[(4-nitrophenyl)amino]-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl}-1-phenylethanone
Catalog ID
STK026246
SMILES O=C(c1ccccc1)CN1C(=C(Nc2ccc(cc2)[N+](=O)[O-])c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
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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 C29H21N3O6S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O6S/c33-25(20-9-3-1-4-10-20)19-31-28(29(34)21-11-5-2-6-12-21)27(24-13-7-8-14-26(24)39(31,37)38)30-22-15-17-23(18-16-22)32(35)36/h1-18,30H,19H2InChIKey
DGPYBCRPIGCLNH-UHFFFAOYSA-NSynonyms
2(3BENZOYL4(4NITROANILINO)11DIOXO1
2(3benzoyl4(4nitroanilino)11dioxo1$l^(6)2benzothiazin2yl)1phenylethanone
2(4((4NITROPHENYL)AMINO)11DIOXIDO3(PHENYLCARBONYL)2H12BENZOTHIAZIN2YL)1PHENYLETHANONE
C1=CC=C(C=C1)C(=O)CN2C(=C(C3=CC=CC=C3S2(=O)=O)NC4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5
InChI=1SC29H21N3O6Sc3325(2093141020)193128(29(34)21115261221)27(2413781426(24)39(3137)38)3022151723(181622)32(35)36h11830H19H2
MFCD02239855
O=C(c1ccccc1)CN1C(=C(Nc2ccc(cc2)(N+)(=O)(O))c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
STK026246
ZINC000098044788
ZINC98044788
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