Vitas-M small molecule compound
2-[4-(tert-butylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
Catalog ID
STK077621
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(NC(C)(C)C)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 C27H25N3O6S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6S/c1-27(2,3)28-24-21-11-7-8-12-23(21)37(35,36)29(25(24)26(32)19-9-5-4-6-10-19)17-22(31)18-13-15-20(16-14-18)30(33)34/h4-16,28H,17H2,1-3H3InChIKey
VTIQUTTWLDHERL-UHFFFAOYSA-NSynonyms
2(3benzoyl4(tertbutylamino)11dioxo1$l^(6)2benzothiazin2yl)1(4nitrophenyl)ethanone
2(4(TERTBUTYLAMINO)11DIOXIDO3(PHENYLCARBONYL)2H12BENZOTHIAZIN2YL)1(4NITROPHENYL)ETHANONE
CC(C)(C)NC1=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=1SC27H25N3O6Sc127(23)28242111781223(21)37(3536)29(25(24)26(32)1995461019)1722(31)18131520(161418)30(33)34h41628H17H213H3
MFCD02237306
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=C(NC(C)(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
STK077621
ZINC000013899532
ZINC13899532
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