Vitas-M small molecule compound
8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918738
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccs1)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 C20H21N3O2S2 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S2/c1-4-7-27-19-22-17-16(18(25)23-19)15(13-6-5-8-26-13)14-11(21-17)9-20(2,3)10-12(14)24/h4-6,8,15H,1,7,9-10H2,2-3H3,(H2,21,22,23,25)InChIKey
KCVWKADFQFXOKQ-UHFFFAOYSA-NSynonyms
627048-04-8627048048
88dimethyl2(prop2en1ylsulfanyl)5(thiophen2yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2prop2enylsulfanyl5thiophen2yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccs1)C(=O)CC(C3)(C)C
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC=C)C4=CC=CS4)C(=O)C1)C
InChI=1SC20H21N3O2S2c1472719221716(18(25)2319)15(136582613)1411(2117)920(23)1012(14)24h46815H17910H223H3(H221222325)
MFCD04444001
ZINC000005864495
ZINC000005864609
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