Vitas-M small molecule compound
propan-2-yl 4-{[4-hydroxy-1,1-dioxido-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-1,2-benzothiazin-3-yl]methyl}benzoate
Catalog ID
STK634764
SMILES CC(OC(=O)c1ccc(cc1)CC1C(O)c2ccccc2S(=O)(=O)N1Cc1ccncc1)C
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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 C25H26N2O5S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5S/c1-17(2)32-25(29)20-9-7-18(8-10-20)15-22-24(28)21-5-3-4-6-23(21)33(30,31)27(22)16-19-11-13-26-14-12-19/h3-14,17,22,24,28H,15-16H2,1-2H3InChIKey
WEXJLPQYWLKCQB-UHFFFAOYSA-NSynonyms
1010930-45-61010930456
CC(C)OC(=O)C1=CC=C(C=C1)CC2C(C3=CC=CC=C3S(=O)(=O)N2CC4=CC=NC=C4)O
InChI=1SC25H26N2O5Sc117(2)3225(29)209718(81020)152224(28)21534623(21)33(3031)27(22)1619111326141219h31417222428H1516H212H3
isopropyl4((4hydroxy11dioxido2(pyridin4ylmethyl)34dihydro2Hbenzo(e)(12)thiazin3yl)methyl)benzoate
MFCD12201760
propan2yl4((4hydroxy11dioxido2(pyridin4ylmethyl)34dihydro2H12benzothiazin3yl)methyl)benzoate
propan2yl4((4hydroxy11dioxo2(pyridin4ylmethyl)34dihydro1$l^(6)2benzothiazin3yl)methyl)benzoate
ZINC000012324410
ZINC000012324413
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