Vitas-M small molecule compound
2-{[1,1-dioxido-2-pentyl-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl]carbamoyl}phenyl acetate
Catalog ID
STK725096
SMILES CCCCCN1C(=C(NC(=O)c2ccccc2OC(=O)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 C29H28N2O6S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6S/c1-3-4-12-19-31-27(28(33)21-13-6-5-7-14-21)26(23-16-9-11-18-25(23)38(31,35)36)30-29(34)22-15-8-10-17-24(22)37-20(2)32/h5-11,13-18H,3-4,12,19H2,1-2H3,(H,30,34)InChIKey
HZTPFPGXQKKGRH-UHFFFAOYSA-NSynonyms
840485-13-4(2((3BENZOYL11DIOXO2PENTYL1
(2((3benzoyl11dioxo2pentyl1$l^(6)2benzothiazin4yl)carbamoyl)phenyl)acetate
2((11dioxido2pentyl3(phenylcarbonyl)2H12benzothiazin4yl)carbamoyl)phenylacetate
2((3benzoyl11dioxido2pentyl2Hbenzo(e)(12)thiazin4yl)carbamoyl)phenylacetate
840485134
CCCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=CC=C3OC(=O)C)C(=O)C4=CC=CC=C4
InChI=1SC29H28N2O6Sc13412193127(28(33)21136571421)26(23169111825(23)38(3135)36)3029(34)22158101724(22)3720(2)32h5111318H341219H212H3(H3034)
MFCD04007547
ZINC000002264889
ZINC2264889
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