Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980779
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)O)C(=O)CC(C3)(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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-4-28-20-23-18-17(19(27)24-20)15(11-5-7-12(25)8-6-11)16-13(22-18)9-21(2,3)10-14(16)26/h5-8,15,25H,4,9-10H2,1-3H3,(H2,22,23,24,27)InChIKey
PXMHJZZKNSWIAP-UHFFFAOYSA-NSynonyms
537044-38-52(ethylsulfanyl)5(4hydroxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(4hydroxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
537044385
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)O)C(=O)CC(C3)(C)C
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)O)C(=O)CC(C3)(C)C
InChI=1SC21H23N3O3Sc142820231817(19(27)2420)15(115712(25)8611)1613(2218)921(23)1014(16)26h581525H4910H213H3(H222232427)
MFCD04457350
ZINC000100821602
ZINC000100821604
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