Vitas-M small molecule compound
2-[(4-methylbenzyl)sulfanyl]-N-(4-oxo-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Catalog ID
STK446298
SMILES O=C(Nn1c(S)nc2c(c1=O)c1CCCCc1s2)CSCc1ccc(cc1)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 C20H21N3O2S3 MW 431.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S3/c1-12-6-8-13(9-7-12)10-27-11-16(24)22-23-19(25)17-14-4-2-3-5-15(14)28-18(17)21-20(23)26/h6-9H,2-5,10-11H2,1H3,(H,21,26)(H,22,24)InChIKey
ORBMUWLGRKXQGL-UHFFFAOYSA-NSynonyms
2((4methylbenzyl)sulfanyl)N(4oxo2sulfanyl5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)acetamide
2((4methylphenyl)methylsulfanyl)N(4oxo2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin3yl)acetamide
CC1=CC=C(C=C1)CSCC(=O)NN2C(=O)C3=C(NC2=S)SC4=C3CCCC4
InChI=1SC20H21N3O2S3c1126813(9712)10271116(24)222319(25)1714423515(14)2818(17)2120(23)26h69H251011H21H3(H2126)(H2224)
MFCD04058546
ZINC000017097685
ZINC17097685
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