Vitas-M small molecule compound
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL383858
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1cc3OCOc3cc1C)/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/c1-6-33-26(32)23-16(3)28-27-30(24(23)17-7-9-19(10-8-17)29(4)5)25(31)22(36-27)13-18-12-21-20(11-15(18)2)34-14-35-21/h7-13,24H,6,14H2,1-5H3/b22-13-InChIKey
VATQZPQDAIPFME-XKZIYDEJSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cc3OCOc3cc1C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC5=C(C=C4C)OCO5)S2)C
ethyl(2Z)5(4(dimethylamino)phenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)5(4(dimethylamino)phenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4DIMETHYLAMINOPHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(DIMETHYLAMINO)PHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H27N3O5Sc163326(32)2316(3)282730(24(23)177919(10817)29(4)5)25(31)22(3627)1318122120(1115(18)2)34143521h71324H614H215H3b2213
MFCD02953684
ZINC000000693904
ZINC000000693910
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