Vitas-M small molecule compound
7-tert-butyl-2-{4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK056212
SMILES COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)C(C)(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 C32H38N2O4S MW 546.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O4S/c1-19-14-20(2)16-23(15-19)37-12-7-13-38-25-11-8-21(17-26(25)36-6)29-33-30(35)28-24-10-9-22(32(3,4)5)18-27(24)39-31(28)34-29/h8,11,14-17,22H,7,9-10,12-13,18H2,1-6H3,(H,33,34,35)InChIKey
RSGOUGXNTSDDTF-UHFFFAOYSA-NSynonyms
7tertbutyl2(4(3(35dimethylphenoxy)propoxy)3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2(4(3(35dimethylphenoxy)propoxy)3methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=CC(=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N3)OC)C
COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C(C)(C)C
InChI=1SC32H38N2O4Sc1191420(2)1623(1519)3712713382511821(1726(25)366)293330(35)282410922(32(34)5)1827(24)3931(28)3429h811141722H7910121318H216H3(H333435)
MFCD03564446
STK056212
ZINC000097995540
ZINC000097995541
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