Vitas-M small molecule compound
methyl (2E)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK534053
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cccc(c1)Oc1ccccc1)/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 C28H21ClN2O4S MW 517.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O4S/c1-17-24(27(33)34-2)25(19-11-13-20(29)14-12-19)31-26(32)23(36-28(31)30-17)16-18-7-6-10-22(15-18)35-21-8-4-3-5-9-21/h3-16,25H,1-2H3/b23-16+InChIKey
PHEAVRIKTARNEQ-XQNSMLJCSA-NSynonyms
374102-10-0(E)methyl5(4chlorophenyl)7methyl3oxo2(3phenoxybenzylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
374102100
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
InChI=1SC28H21ClN2O4Sc11724(27(33)342)25(19111320(29)141219)3126(32)23(3628(31)3017)1618761022(1518)35218435921h31625H12H3b2316+
methyl(2E)5(4chlorophenyl)7methyl3oxo2((3phenoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4chlorophenyl)7methyl3oxo2(3phenoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD01953141
ZINC000009334974
ZINC000013774528
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