Vitas-M small molecule compound
methyl (2Z)-2-[4-(cyanomethoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK763734
SMILES N#CCOc1ccc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)OC)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 C28H27N3O5S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S/c1-16(2)19-7-9-20(10-8-19)25-24(27(33)35-5)17(3)30-28-31(25)26(32)23(37-28)15-18-6-11-21(36-13-12-29)22(14-18)34-4/h6-11,14-16,25H,13H2,1-5H3/b23-15-InChIKey
JTPVDMVNAOFKNC-HAHDFKILSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC#N)OC)SC2=N1)C4=CC=C(C=C4)C(C)C)C(=O)OC
InChI=1SC28H27N3O5Sc116(2)197920(10819)2524(27(33)355)17(3)302831(25)26(32)23(3728)151861121(36131229)22(1418)344h611141625H13H215H3b2315
METHYL(2Z)2((4(CYANOMETHOXY)3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5(4PROPAN2YLPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4(cyanomethoxy)3methoxybenzylidene)7methyl3oxo5(4(propan2yl)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD02647458
N#CCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)OC)C
ZINC000002120709
ZINC000002120713
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