Vitas-M small molecule compound
methyl 4-{(E)-[1,1-dioxido-4-oxo-2-(pyridin-3-ylmethyl)-2H-1,2-benzothiazin-3(4H)-ylidene]methyl}benzoate
Catalog ID
STL009495
SMILES COC(=O)c1ccc(cc1)/C=C/1\C(=O)c2ccccc2S(=O)(=O)N1Cc1cccnc1
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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 C23H18N2O5S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5S/c1-30-23(27)18-10-8-16(9-11-18)13-20-22(26)19-6-2-3-7-21(19)31(28,29)25(20)15-17-5-4-12-24-14-17/h2-14H,15H2,1H3/b20-13+InChIKey
FREIGVDRXMZPBC-DEDYPNTBSA-NSynonyms
929965-46-8(E)methyl4((11dioxido4oxo2(pyridin3ylmethyl)2Hbenzo(e)(12)thiazin3(4H)ylidene)methyl)benzoate
929965468
COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2CC4=CN=CC=C4
COC(=O)c1ccc(cc1)C=C1C(=O)c2ccccc2S(=O)(=O)N1Cc1cccnc1
InChI=1SC23H18N2O5Sc13023(27)1810816(91118)132022(26)19623721(19)31(2829)25(20)15175412241417h214H15H21H3b2013+
methyl4((E)(114trioxo2(pyridin3ylmethyl)1$l^(6)2benzothiazin3ylidene)methyl)benzoate
methyl4((E)(11dioxido4oxo2(pyridin3ylmethyl)2H12benzothiazin3(4H)ylidene)methyl)benzoate
MFCD09848783
ZINC000008993149
ZINC08993149
ZINC8993149
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