Vitas-M small molecule compound
ethyl (2Z)-2-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK544953
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1cc(n(c1c1ccccc1)c1ccc(cc1)Br)c1ccccc1)/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 C40H32BrN3O3S MW 714.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H32BrN3O3S/c1-4-47-39(46)35-26(3)42-40-44(37(35)29-17-15-25(2)16-18-29)38(45)34(48-40)24-30-23-33(27-11-7-5-8-12-27)43(32-21-19-31(41)20-22-32)36(30)28-13-9-6-10-14-28/h5-24,37H,4H2,1-3H3/b34-24-InChIKey
GCSOGOITIYCWHV-BCJTWVECSA-NSynonyms
(Z)ethyl2((1(4bromophenyl)25diphenyl1Hpyrrol3yl)methylene)7methyl3oxo5(ptolyl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1cc(n(c1c1ccccc1)c1ccc(cc1)Br)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=C(N(C(=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br)C7=CC=CC=C7)S2)C
ethyl(2Z)2((1(4bromophenyl)25diphenyl1Hpyrrol3yl)methylidene)7methyl5(4methylphenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(4BROMOPHENYL)25DIPHENYLPYRROL3YL)METHYLIDENE)7METHYL5(4METHYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2((1(4BROMOPHENYL)25DIPHENYLPYRROL3YL)METHYLENE)7METHYL5(4METHYLPHENYL)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC40H32BrN3O3Sc144739(46)3526(3)424044(37(35)29171525(2)161829)38(45)34(4840)24302333(27117581227)43(32211931(41)202232)36(30)281396101428h52437H4H213H3b3424
MFCD01140794
ZINC000150353309
ZINC000150353311
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