Vitas-M small molecule compound
N-[1,1-dioxido-2-pentyl-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]-4-nitrobenzamide
Catalog ID
STL059529
SMILES CCCCCN1C(=C(NC(=O)c2ccc(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 C27H25N3O6S MW 519.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6S/c1-2-3-9-18-29-25(26(31)19-10-5-4-6-11-19)24(22-12-7-8-13-23(22)37(29,35)36)28-27(32)20-14-16-21(17-15-20)30(33)34/h4-8,10-17H,2-3,9,18H2,1H3,(H,28,32)InChIKey
PRZJLXXUECYBPL-UHFFFAOYSA-NSynonyms
587006-67-5587006675
CCCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=CC=C4
CCCCCN1C(=C(NC(=O)c2ccc(cc2)(N+)(=O)(O))c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
InChI=1SC27H25N3O6Sc1239182925(26(31)19105461119)24(2212781323(22)37(2935)36)2827(32)20141621(171520)30(33)34h481017H23918H21H3(H2832)
MFCD04033250
N(11dioxido2pentyl3(phenylcarbonyl)2H12benzothiazin4yl)4nitrobenzamide
N(3benzoyl11dioxido2pentyl2Hbenzo(e)(12)thiazin4yl)4nitrobenzamide
N(3benzoyl11dioxo2pentyl1$l^(6)2benzothiazin4yl)4nitrobenzamide
ZINC000001876718
ZINC01876718
ZINC1876718
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