Vitas-M small molecule compound
4-(4-methoxyphenyl)-6-methyl-2-(methylsulfanyl)-5-(phenylcarbamoyl)-3,4-dihydropyrimidin-1-ium
Catalog ID
STK096432
SMILES COc1ccc(cc1)C1NC(=[NH+]C(=C1C(=O)Nc1ccccc1)C)SC
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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 C20H22N3O2S MW 368.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S/c1-13-17(19(24)22-15-7-5-4-6-8-15)18(23-20(21-13)26-3)14-9-11-16(25-2)12-10-14/h4-12,18H,1-3H3,(H,21,23)(H,22,24)/p+1InChIKey
ZPPJDBGYJGUSLF-UHFFFAOYSA-OSynonyms
4(4METHOXYPHENYL)6METHYL2(METHYLSULFANYL)5(PHENYLCARBAMOYL)34DIHYDROPYRIMIDIN1IUM
4(4METHOXYPHENYL)6METHYL2METHYLSULFANYLNPHENYL14DIHYDROPYRIMIDIN3IUM5CARBOXAMIDE
CC1=C(C((NH+)=C(N1)SC)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3
COc1ccc(cc1)C1NC(=(NH+)C(=C1C(=O)Nc1ccccc1)C)SC
InChI=1SC20H21N3O2Sc11317(19(24)22157546815)18(2320(2113)263)1491116(252)121014h41218H13H3(H2123)(H2224)p+1
STK096432
ZINC000001127407
ZINC000001127409
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