Vitas-M small molecule compound
propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL388541
SMILES CN1CCN(CC1)c1ccc(o1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OC(C)C)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 C27H29ClN4O4S MW 541.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O4S/c1-16(2)35-26(34)23-17(3)29-27-32(24(23)18-5-7-19(28)8-6-18)25(33)21(37-27)15-20-9-10-22(36-20)31-13-11-30(4)12-14-31/h5-10,15-16,24H,11-14H2,1-4H3/b21-15+InChIKey
AVZCNRXTIXUPCD-RCCKNPSSSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)N4CCN(CC4)C)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OC(C)C
CN1CCN(CC1)c1ccc(o1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)Cl)C(=O)OC(C)C)C
InChI=1SC27H29ClN4O4Sc116(2)3526(34)2317(3)292732(24(23)185719(28)8618)25(33)21(3727)152091022(3620)31131130(4)121431h510151624H1114H214H3b2115+
MFCD06239338
propan2yl(2E)5(4chlorophenyl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)5(4chlorophenyl)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000008767091
ZINC000008767094
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