Vitas-M small molecule compound
2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
Catalog ID
STK382500
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)C1NC(=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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-3-31-20-14-17(10-12-19(20)32-26(30)16-7-5-4-6-8-16)23-27-24(29)22-18-11-9-15(2)13-21(18)33-25(22)28-23/h4-8,10,12,14-15,23,28H,3,9,11,13H2,1-2H3,(H,27,29)InChIKey
KJYVBYJUZCOAPA-UHFFFAOYSA-NSynonyms
(2ethoxy4(7methyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)benzoate
2ethoxy4(7methyl4oxo12345678octahydro(1)benzothieno(23d)pyrimidin2yl)phenylbenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2)OC(=O)C5=CC=CC=C5
InChI=1SC26H26N2O4Sc1331201417(101219(20)3226(30)167546816)232724(29)221811915(2)1321(18)3325(22)2823h48101214152328H391113H212H3(H2729)
MFCD02916210
ZINC000015945235
ZINC000015945240
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