Vitas-M small molecule compound
ethyl (2Z)-5-(2,3-dimethoxyphenyl)-3-oxo-7-phenyl-2-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK110320
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccc(c1OC)OC)c(=O)/c(=C/c1ccc[nH]1)/s2)c1ccccc1
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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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-4-36-27(33)22-23(17-10-6-5-7-11-17)30-28-31(26(32)21(37-28)16-18-12-9-15-29-18)24(22)19-13-8-14-20(34-2)25(19)35-3/h5-16,24,29H,4H2,1-3H3/b21-16-InChIKey
QOWORMLBIGJNBL-PGMHBOJBSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccc(c1OC)OC)c(=O)c(=Cc1ccc(nH)1)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C(=CC=C3)OC)OC)C(=O)C(=CC4=CC=CN4)S2)C5=CC=CC=C5
ETHYL(2Z)5(23DIMETHOXYPHENYL)3OXO7PHENYL2(1HPYRROL2YLMETHYLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(23DIMETHOXYPHENYL)3OXO7PHENYL2(1HPYRROL2YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H25N3O5Sc143627(33)2223(17106571117)302831(26(32)21(3728)1618129152918)24(22)191381420(342)25(19)353h5162429H4H213H3b2116
MFCD02197434
ZINC000009763195
ZINC000012467922
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