Vitas-M small molecule compound

phenyl (2E)-2-{3-bromo-5-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK030048
SMILES CCOc1cc(cc(c1OCCOc1ccccc1C)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/c1-4-44-31-22-26(21-29(39)35(31)46-20-19-45-30-18-12-11-13-24(30)2)23-32-36(42)41-34(27-14-7-5-8-15-27)33(25(3)40-38(41)48-32)37(43)47-28-16-9-6-10-17-28/h5-18,21-23,34H,4,19-20H2,1-3H3/b32-23+
InChIKey
XLCQUHDSVROVNL-AWSUPERCSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC4=CC=CC=C4)C5=CC=CC=C5)Br)OCCOC6=CC=CC=C6C
CCOc1cc(cc(c1OCCOc1ccccc1C)Br)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C
InChI=1SC38H33BrN2O6Sc1444312226(2129(39)35(31)46201945301812111324(30)2)233236(42)4134(27147581527)33(25(3)4038(41)4832)37(43)47281696101728h518212334H41920H213H3b3223+
MFCD03183856
PHENYL(2E)2((3BROMO5ETHOXY4(2(2METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PHENYL(2E)2(3BROMO5ETHOXY4(2(2METHYLPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK030048
ZINC000097958143
ZINC000097958144

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Available files

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