Vitas-M small molecule compound
ethyl (2E)-2-{2-[2-(4-hexylphenoxy)ethoxy]benzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK036410
SMILES CCCCCCc1ccc(cc1)OCCOc1ccccc1/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)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 C38H42N2O6S MW 654.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42N2O6S/c1-5-7-8-9-12-27-15-19-31(20-16-27)45-23-24-46-32-14-11-10-13-29(32)25-33-36(41)40-35(28-17-21-30(43-4)22-18-28)34(37(42)44-6-2)26(3)39-38(40)47-33/h10-11,13-22,25,35H,5-9,12,23-24H2,1-4H3/b33-25+InChIKey
CAJZRQMWSGZUCY-INKHBPHZSA-NSynonyms
CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC
CCCCCCc1ccc(cc1)OCCOc1ccccc1C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C
ETHYL(2E)2((2(2(4HEXYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2(2(2(4HEXYLPHENOXY)ETHOXY)BENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC38H42N2O6Sc157891227151931(201627)45232446321411101329(32)253336(41)4035(28172130(434)221828)34(37(42)4462)26(3)3938(40)4733h101113222535H59122324H214H3b3325+
MFCD03183835
STK036410
ZINC000097958490
ZINC000097958491
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