Vitas-M small molecule compound
2-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK180078
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1ccccc1CN(C1=NS(=O)(=O)c2c1cccc2)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 C31H26N2O5S MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5S/c1-22-11-16-25(17-12-22)33(31-27-8-4-6-10-29(27)39(35,36)32-31)21-24-7-3-5-9-28(24)38-30(34)20-15-23-13-18-26(37-2)19-14-23/h3-20H,21H2,1-2H3/b20-15+InChIKey
IBFCMCQRTOSUGD-HMMYKYKNSA-NSynonyms
(2((N(11DIOXO12BENZOTHIAZOL3YL)4METHYLANILINO)METHYL)PHENYL)(E)3(4METHOXYPHENYL)PROP2ENOATE
2(((11DIOXIDO12BENZOTHIAZOL3YL)(4METHYLPHENYL)AMINO)METHYL)PHENYL(2E)3(4METHOXYPHENYL)PROP2ENOATE
CC1=CC=C(C=C1)N(CC2=CC=CC=C2OC(=O)C=CC3=CC=C(C=C3)OC)C4=NS(=O)(=O)C5=CC=CC=C54
COc1ccc(cc1)C=CC(=O)Oc1ccccc1CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C
InChI=1SC31H26N2O5Sc122111625(171222)33(31278461029(27)39(3536)3231)2124735928(24)3830(34)201523131826(372)191423h320H21H212H3b2015+
MFCD06760135
ZINC000003642197
ZINC3642197
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