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-ethoxyphenyl thiophene-2-carboxylate
Catalog ID
STK215806
SMILES CCOc1cc(ccc1OC(=O)c1cccs1)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 C27H30N2O4S2 MW 510.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S2/c1-5-32-19-13-15(8-11-18(19)33-26(31)20-7-6-12-34-20)23-28-24(30)22-17-10-9-16(27(2,3)4)14-21(17)35-25(22)29-23/h6-8,11-13,16,23,29H,5,9-10,14H2,1-4H3,(H,28,30)InChIKey
YUDNEEJNENZZNZ-UHFFFAOYSA-NSynonyms
(4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)2ethoxyphenyl)thiophene2carboxylate
4(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2ethoxyphenylthiophene2carboxylate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)OC(=O)C5=CC=CS5
InChI=1SC27H30N2O4S2c1532191315(81118(19)3326(31)2076123420)232824(30)221710916(27(23)4)1421(17)3525(22)2923h681113162329H591014H214H3(H2830)
MFCD07436918
ZINC000010059380
ZINC000010059383
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