Vitas-M small molecule compound
ethyl (2Z)-2-{3-[(4-chlorobenzyl)oxy]benzylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK362046
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)/c(=C/c1cccc(c1)OCc1ccc(cc1)Cl)/s2
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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 C31H27ClN2O5S MW 575.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)22-8-6-9-24(17-22)37-3)29(35)26(40-31)16-21-7-5-10-25(15-21)39-18-20-11-13-23(32)14-12-20/h5-17,28H,4,18H2,1-3H3/b26-16-InChIKey
JXSWBZZIWLSPSB-QQXSKIMKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)OC)c(=O)c(=Cc1cccc(c1)OCc1ccc(cc1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)C(=CC4=CC(=CC=C4)OCC5=CC=C(C=C5)Cl)S2)C
ethyl(2Z)2((3((4chlorophenyl)methoxy)phenyl)methylidene)5(3methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(3((4CHLOROBENZYL)OXY)BENZYLIDENE)5(3METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H27ClN2O5Sc143830(36)2719(2)333134(28(27)2286924(1722)373)29(35)26(4031)1621751025(1521)391820111323(32)141220h51728H418H213H3b2616
MFCD02109406
ZINC000100618088
ZINC000100618091
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