Vitas-M small molecule compound
ethyl (2Z)-5-(4-ethoxyphenyl)-2-(1H-indol-3-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484922
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1c[nH]c3c1cccc3)/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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-4-33-19-12-10-17(11-13-19)24-23(26(32)34-5-2)16(3)29-27-30(24)25(31)22(35-27)14-18-15-28-21-9-7-6-8-20(18)21/h6-15,24,28H,4-5H2,1-3H3/b22-14-InChIKey
AWXZPGXTTJNNLO-HMAPJEAMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1c(nH)c3c1cccc3)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CNC5=CC=CC=C54)S3)C)C(=O)OCC
ethyl(2Z)5(4ethoxyphenyl)2(1Hindol3ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4ethoxyphenyl)2(1Hindol3ylmethylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H25N3O4Sc143319121017(111319)2423(26(32)3452)16(3)292730(24)25(31)22(3527)1418152821976820(18)21h6152428H45H213H3b2214
MFCD05040366
ZINC000015018595
ZINC000015018596
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