Vitas-M small molecule compound

ethyl (2E)-2-(4-butoxy-3-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK797824
SMILES CCCCOc1ccc(cc1OC)/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 C29H32N2O6S MW 536.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O6S/c1-6-8-15-37-22-14-9-19(16-23(22)35-5)17-24-27(32)31-26(20-10-12-21(34-4)13-11-20)25(28(33)36-7-2)18(3)30-29(31)38-24/h9-14,16-17,26H,6-8,15H2,1-5H3/b24-17+
InChIKey
NFGBDWKUKVZQEP-JJIBRWJFSA-N
Synonyms

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC)OC
CCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)OC)C(=O)OCC)C
ETHYL(2E)2((4BUTOXY3METHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4butoxy3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H32N2O6Sc16815372214919(1623(22)355)172427(32)3126(20101221(344)131120)25(28(33)3672)18(3)3029(31)3824h914161726H6815H215H3b2417+
MFCD03417189
ZINC000100837940
ZINC000100837943

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Available files

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