Vitas-M small molecule compound
2-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}-3-chloro-5-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK121459
SMILES COc1cc(cc(c1OCCCOc1ccccc1C(CC)C)Cl)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)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 C31H35ClN2O4S MW 567.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN2O4S/c1-5-19(3)21-9-6-7-10-24(21)37-13-8-14-38-28-23(32)16-20(17-25(28)36-4)29-33-30(35)27-22-12-11-18(2)15-26(22)39-31(27)34-29/h6-7,9-10,16-19H,5,8,11-15H2,1-4H3,(H,33,34,35)InChIKey
UNDPCAHHOVMAHC-UHFFFAOYSA-NSynonyms
2(4(3(2(butan2yl)phenoxy)propoxy)3chloro5methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(3(2butan2ylphenoxy)propoxy)3chloro5methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCC(C)C1=CC=CC=C1OCCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CC(CC5)C)C(=O)N3)OC
COc1cc(cc(c1OCCCOc1ccccc1C(CC)C)Cl)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC31H35ClN2O4Sc1519(3)219671024(21)3713814382823(32)1620(1725(28)364)293330(35)2722121118(2)1526(22)3931(27)3429h679101619H581115H214H3(H333435)
MFCD03261842
ZINC000097995784
ZINC000097995787
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