Vitas-M small molecule compound
ethyl (2Z)-2-[4-(diethylamino)benzylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495667
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(cc1)N(CC)CC)/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 C29H33N3O4S MW 519.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4S/c1-6-31(7-2)22-14-10-20(11-15-22)18-24-27(33)32-26(21-12-16-23(17-13-21)35-8-3)25(28(34)36-9-4)19(5)30-29(32)37-24/h10-18,26H,6-9H2,1-5H3/b24-18-InChIKey
BPCNCWWXBPUKRD-MOHJPFBDSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OCC
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(cc1)N(CC)CC)s2
ethyl(2Z)2((4(diethylamino)phenyl)methylidene)5(4ethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(4(diethylamino)benzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H33N3O4Sc1631(72)22141020(111522)182427(33)3226(21121623(171321)3583)25(28(34)3694)19(5)3029(32)3724h101826H69H215H3b2418
MFCD05040374
ZINC000015018601
ZINC000015018602
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