Vitas-M small molecule compound

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

Catalog ID
STK040903
SMILES CCOc1cc(ccc1OCCOc1cccc(c1)C)/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 C35H36N2O7S MW 628.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O7S/c1-6-41-29-20-24(11-16-28(29)44-18-17-43-27-10-8-9-22(3)19-27)21-30-33(38)37-32(25-12-14-26(40-5)15-13-25)31(34(39)42-7-2)23(4)36-35(37)45-30/h8-16,19-21,32H,6-7,17-18H2,1-5H3/b30-21+
InChIKey
VRRTXWYOXGIVLW-MWAVMZGNSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC)OCCOC5=CC=CC(=C5)C
CCOc1cc(ccc1OCCOc1cccc(c1)C)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C
ETHYL(2E)2((3ETHOXY4(2(3METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2(3ETHOXY4(2(3METHYLPHENOXY)ETHOXY)BENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC35H36N2O7Sc1641292024(111628(29)4418174327108922(3)1927)213033(38)3732(25121426(405)151325)31(34(39)4272)23(4)3635(37)4530h816192132H671718H215H3b3021+
MFCD02017626
STK040903
ZINC000100592199
ZINC000100592203

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Available files

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