Vitas-M small molecule compound

ethyl (2Z)-2-[4-(acetylamino)benzylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL495661
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(cc1)NC(=O)C)/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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-5-34-21-13-9-19(10-14-21)24-23(26(33)35-6-2)16(3)28-27-30(24)25(32)22(36-27)15-18-7-11-20(12-8-18)29-17(4)31/h7-15,24H,5-6H2,1-4H3,(H,29,31)/b22-15-
InChIKey
FQBDHWCWDPQHDO-JCMHNJIXSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(cc1)NC(=O)C)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)NC(=O)C)S3)C)C(=O)OCC
ETHYL(2Z)2((4ACETAMIDOPHENYL)METHYLIDENE)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(acetylamino)benzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H27N3O5Sc15342113919(101421)2423(26(33)3562)16(3)282730(24)25(32)22(3627)151871120(12818)2917(4)31h71524H56H214H3(H2931)b2215
MFCD05040363
ZINC000000669445
ZINC000000669448

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Available files

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