Vitas-M small molecule compound
phenyl (2E)-2-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK083386
SMILES COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Br)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)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 C38H33BrN2O6S MW 725.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H33BrN2O6S/c1-23-15-16-29(19-24(23)2)45-17-18-46-35-30(39)20-26(21-31(35)44-4)22-32-36(42)41-34(27-11-7-5-8-12-27)33(25(3)40-38(41)48-32)37(43)47-28-13-9-6-10-14-28/h5-16,19-22,34H,17-18H2,1-4H3/b32-22+InChIKey
ZXLBXHXHJUMQBR-WEMUVCOSSA-NSynonyms
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC5=CC=CC=C5)C6=CC=CC=C6)OC)C
COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Br)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C
InChI=1SC38H33BrN2O6Sc123151629(1924(23)2)451718463530(39)2026(2131(35)444)223236(42)4134(27117581227)33(25(3)4038(41)4832)37(43)47281396101428h516192234H1718H214H3b3222+
MFCD03183853
PHENYL(2E)2((3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PHENYL(2E)2(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK083386
ZINC000097959095
ZINC000097959096
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