Vitas-M small molecule compound
4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK215803
SMILES COc1cc(ccc1OC(=O)c1cccc2c1cccc2)C1N=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 C32H32N2O4S MW 540.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O4S/c1-32(2,3)20-13-14-23-26(17-20)39-30-27(23)29(35)33-28(34-30)19-12-15-24(25(16-19)37-4)38-31(36)22-11-7-9-18-8-5-6-10-21(18)22/h5-12,15-16,20,28,34H,13-14,17H2,1-4H3,(H,33,35)InChIKey
WFBYBQDGKAEIHM-UHFFFAOYSA-NSynonyms
(4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)2methoxyphenyl)naphthalene1carboxylate
4(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenylnaphthalene1carboxylate
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC6=CC=CC=C65)OC
InChI=1SC32H32N2O4Sc132(23)2013142326(1720)393027(23)29(35)3328(3430)19121524(25(1619)374)3831(36)221179188561021(18)22h5121516202834H131417H214H3(H3335)
MFCD07436915
ZINC000097994751
ZINC000097994754
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