Vitas-M small molecule compound
ethyl (2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK085409
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OC)c1ccccc1)/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 C34H30N4O4S MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N4O4S/c1-5-42-33(40)29-22(3)35-34-38(31(29)24-13-11-21(2)12-14-24)32(39)28(43-34)19-25-20-37(26-9-7-6-8-10-26)36-30(25)23-15-17-27(41-4)18-16-23/h6-20,31H,5H2,1-4H3/b28-19-InChIKey
NYBOKZYYFXFYIT-USHMODERSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OC)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)S2)C
ETHYL(2Z)2((3(4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)7METHYL5(4METHYLPHENYL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL5(4METHYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)7METHYL5(4METHYLPHENYL)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H30N4O4Sc154233(40)2922(3)353438(31(29)24131121(2)121424)32(39)28(4334)19252037(2697681026)3630(25)23151727(414)181623h62031H5H214H3b2819
MFCD02086842
STK085409
ZINC000100604119
ZINC000100604123
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