Vitas-M small molecule compound
8,8-dimethyl-5-(4-methylphenyl)-2-[(3-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK914515
SMILES Cc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1cccc(c1)[N+](=O)[O-])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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-15-7-9-17(10-8-15)21-22-19(12-27(2,3)13-20(22)32)28-24-23(21)25(33)30-26(29-24)36-14-16-5-4-6-18(11-16)31(34)35/h4-11,21H,12-14H2,1-3H3,(H2,28,29,30,33)InChIKey
SIDDUDNDRAEIJT-UHFFFAOYSA-NSynonyms
88dimethyl5(4methylphenyl)2((3nitrobenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl5(4methylphenyl)2((3nitrophenyl)methylsulfanyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1cccc(c1)(N+)(=O)(O))CC(CC2=O)(C)C
InChI=1SC27H26N4O4Sc1157917(10815)212219(1227(23)1320(22)32)282423(21)25(33)3026(2924)36141654618(1116)31(34)35h41121H1214H213H3(H228293033)
MFCD14730146
ZINC000004793597
ZINC000004793603
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