Vitas-M small molecule compound
benzyl (2E)-7-methyl-2-(4-methylbenzylidene)-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK811655
SMILES CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)C)/s2)C(=O)OCc1ccccc1
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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 C30H26N2O3S2 MW 526.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O3S2/c1-19-9-11-21(12-10-19)17-25-28(33)32-27(23-13-15-24(36-3)16-14-23)26(20(2)31-30(32)37-25)29(34)35-18-22-7-5-4-6-8-22/h4-17,27H,18H2,1-3H3/b25-17+InChIKey
SANSPTIYHFIOLK-KOEQRZSOSA-NSynonyms
BENZYL(2E)7METHYL2((4METHYLPHENYL)METHYLIDENE)5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2E)7methyl2(4methylbenzylidene)5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)SC
CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C)s2)C(=O)OCc1ccccc1
InChI=1SC30H26N2O3S2c11991121(121019)172528(33)3227(23131524(363)161423)26(20(2)3130(32)3725)29(34)3518227546822h41727H18H213H3b2517+
MFCD06264914
ZINC000002680755
ZINC000002680757
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