Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(4-chlorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980807
SMILES Clc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1)CC(CC2=O)(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 C26H24ClN3O2S MW 478.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2S/c1-26(2)12-18-21(19(31)13-26)20(16-8-10-17(27)11-9-16)22-23(28-18)29-25(30-24(22)32)33-14-15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3,(H2,28,29,30,32)InChIKey
RXJMHWXZYCGADM-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(4chlorophenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4chlorophenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)C1)C
Clc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1)CC(CC2=O)(C)C
InChI=1SC26H24ClN3O2Sc126(2)121821(19(31)1326)20(1681017(27)11916)2223(2818)2925(3024(22)32)3314156435715h31120H1214H212H3(H228293032)
MFCD04065182
ZINC000000958598
ZINC000000958599
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