Vitas-M small molecule compound
2-[4-(benzyloxy)-3-ethoxyphenyl]-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383921
SMILES CCOc1cc(ccc1OCc1ccccc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)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 C30H36N2O3S MW 504.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3S/c1-5-30(3,4)21-13-14-22-25(17-21)36-29-26(22)28(33)31-27(32-29)20-12-15-23(24(16-20)34-6-2)35-18-19-10-8-7-9-11-19/h7-12,15-16,21,27,32H,5-6,13-14,17-18H2,1-4H3,(H,31,33)InChIKey
WVQQQKFHSZNMDN-UHFFFAOYSA-NSynonyms
2(3ethoxy4phenylmethoxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
2(4(benzyloxy)3ethoxyphenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC
InChI=1SC30H36N2O3Sc1530(34)2113142225(1721)362926(22)28(33)3127(3229)20121523(24(1620)3462)351819108791119h7121516212732H5613141718H214H3(H3133)
MFCD03836619
ZINC000008920376
ZINC000008920397
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