Vitas-M small molecule compound
propan-2-yl (2E)-2-(4-tert-butylbenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793891
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)C(C)(C)C)/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 C29H32N2O4S MW 504.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O4S/c1-17(2)35-27(33)24-18(3)30-28-31(25(24)20-10-14-22(34-7)15-11-20)26(32)23(36-28)16-19-8-12-21(13-9-19)29(4,5)6/h8-17,25H,1-7H3/b23-16+InChIKey
YKBZSJQSOFZMNH-XQNSMLJCSA-NSynonyms
(Z)isopropyl2(4(tertbutyl)benzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2)C(=O)OC(C)C
InChI=1SC29H32N2O4Sc117(2)3527(33)2418(3)302831(25(24)20101422(347)151120)26(32)23(3628)161981221(13919)29(45)6h81725H17H3b2316+
MFCD03417169
propan2yl(2E)2((4tertbutylphenyl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
propan2yl(2E)2(4tertbutylbenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000008837795
ZINC000012294072
Check stock
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