Vitas-M small molecule compound
2-ethoxy-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl naphthalene-1-carboxylate
Catalog ID
STK384871
SMILES CCOc1cc(ccc1OC(=O)c1cccc2c1cccc2)C1N=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 C30H28N2O4S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4S/c1-3-35-24-16-19(27-31-28(33)26-22-13-11-17(2)15-25(22)37-29(26)32-27)12-14-23(24)36-30(34)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,12,14,16-17,27,32H,3,11,13,15H2,1-2H3,(H,31,33)InChIKey
JIIPTEYISDXKKR-UHFFFAOYSA-NSynonyms
(2ethoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)naphthalene1carboxylate
2ethoxy4(4hydroxy7methyl125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylnaphthalene1carboxylate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2)OC(=O)C5=CC=CC6=CC=CC=C65
InChI=1SC30H28N2O4Sc1335241619(273128(33)2622131117(2)1525(22)3729(26)3227)121423(24)3630(34)21106818745920(18)21h410121416172732H3111315H212H3(H3133)
MFCD11853335
ZINC000015947701
ZINC000015947708
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