Vitas-M small molecule compound
ethyl 5-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
Catalog ID
STK944919
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC(CN1C(=O)c3c(S1(=O)=O)cccc3)O)cc2)c1ccc(cc1)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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-4-37-29(34)27-19(3)31(20-11-9-18(2)10-12-20)25-14-13-22(15-24(25)27)38-17-21(32)16-30-28(33)23-7-5-6-8-26(23)39(30,35)36/h5-15,21,32H,4,16-17H2,1-3H3InChIKey
QVAHBODFFZXUCM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C5=CC=C(C=C5)C)C
ETHYL5(2HYDROXY3(113TRIOXO(2HYDROBENZO(D)ISOTHIAZOL2YL))PROPOXY)2METHYL1(4METHYLPHENYL)INDOLE3CARBOXYLATE
ethyl5(2hydroxy3(113trioxo12benzothiazol2yl)propoxy)2methyl1(4methylphenyl)indole3carboxylate
ethyl5(3(11dioxido3oxo12benzothiazol2(3H)yl)2hydroxypropoxy)2methyl1(4methylphenyl)1Hindole3carboxylate
InChI=1SC29H28N2O7Sc143729(34)2719(3)31(2011918(2)101220)25141322(1524(25)27)381721(32)163028(33)23756826(23)39(3035)36h5152132H41617H213H3
MFCD04565520
ZINC000101222505
ZINC000101222510
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