Vitas-M small molecule compound
2-(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK062887
SMILES COc1cc(cc(c1OCCOc1cc(C)ccc1C(C)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 C30H33ClN2O4S MW 553.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33ClN2O4S/c1-16(2)20-8-6-17(3)12-23(20)36-10-11-37-27-22(31)14-19(15-24(27)35-5)28-32-29(34)26-21-9-7-18(4)13-25(21)38-30(26)33-28/h6,8,12,14-16,18H,7,9-11,13H2,1-5H3,(H,32,33,34)InChIKey
DCVPUYDQTNKYAA-UHFFFAOYSA-NSynonyms
2(3chloro5methoxy4(2(5methyl2(propan2yl)phenoxy)ethoxy)phenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5methoxy4(2(5methyl2propan2ylphenoxy)ethoxy)phenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Cl)OCCOC5=C(C=CC(=C5)C)C(C)C)OC
COc1cc(cc(c1OCCOc1cc(C)ccc1C(C)C)Cl)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC30H33ClN2O4Sc116(2)208617(3)1223(20)361011372722(31)1419(1524(27)355)283229(34)26219718(4)1325(21)3830(26)3328h6812141618H791113H215H3(H323334)
MFCD03253623
STK062887
ZINC000097995559
ZINC000097995560
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