Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)phenyl]-2-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794229
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC(=O)C)C(=O)OC)C)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 C35H30N4O6S MW 634.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O6S/c1-5-44-27-15-11-23(12-16-27)31-25(20-38(37-31)26-9-7-6-8-10-26)19-29-33(41)39-32(24-13-17-28(18-14-24)45-22(3)40)30(34(42)43-4)21(2)36-35(39)46-29/h6-20,32H,5H2,1-4H3/b29-19-InChIKey
ZAEVQJBCNQVGRT-CEUNXORHSA-NSynonyms
(Z)methyl5(4acetoxyphenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=C(C=C5)OC(=O)C)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC(=O)C)C(=O)OC)C)c1ccccc1
InChI=1SC35H30N4O6Sc154427151123(121627)3125(2038(3731)2697681026)192933(41)3932(24131728(181424)4522(3)40)30(34(42)434)21(2)3635(39)4629h62032H5H214H3b2919
methyl(2Z)5(4(acetyloxy)phenyl)2((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXYPHENYL)2((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01949454
ZINC000097947541
ZINC000097947542
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