Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-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
STL507071
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc3OCOc3cc1C)/s2)C(=O)OC(C)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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-14(2)35-26(31)23-16(4)28-27-29(24(23)17-6-8-19(32-5)9-7-17)25(30)22(36-27)12-18-11-21-20(10-15(18)3)33-13-34-21/h6-12,14,24H,13H2,1-5H3/b22-12-InChIKey
CGXGRLWJMDOQNA-UUYOSTAYSA-NSynonyms
6536669
InChI=1SC27H26N2O6Sc114(2)3526(31)2316(4)282729(24(23)176819(325)9717)25(30)22(3627)1218112120(1015(18)3)33133421h6121424H13H215H3b2212
ISOPROPYL5(4METHOXYPHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02953688
propan2yl(2~(Z))5(4methoxyphenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2Z)5(4methoxyphenyl)7methyl2((6methyl13benzodioxol5yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL2((6METHYL13BENZODIOXOL5YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000000693926
ZINC000000693931
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