Vitas-M small molecule compound
ethyl (2Z)-5-(4-butoxy-3-methoxyphenyl)-2-(2-ethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK108100
SMILES CCCCOc1ccc(cc1OC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccccc1OCC)/s2)C(=O)OCC
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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 C30H34N2O6S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6S/c1-6-9-16-38-23-15-14-21(17-24(23)35-5)27-26(29(34)37-8-3)19(4)31-30-32(27)28(33)25(39-30)18-20-12-10-11-13-22(20)36-7-2/h10-15,17-18,27H,6-9,16H2,1-5H3/b25-18-InChIKey
XNYDHQSGWHUHHU-BWAHOGKJSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=CC=C4OCC)S3)C)C(=O)OCC)OC
CCCCOc1ccc(cc1OC)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccccc1OCC)s2)C(=O)OCC
ETHYL(2Z)5(4BUTOXY3METHOXYPHENYL)2((2ETHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4BUTOXY3METHOXYPHENYL)2(2ETHOXYBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H34N2O6Sc169163823151421(1724(23)355)2726(29(34)3783)19(4)313032(27)28(33)25(3930)18201210111322(20)3672h1015171827H6916H215H3b2518
MFCD04083384
ZINC000002177375
ZINC000002177377
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