Vitas-M small molecule compound
8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980841
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc([nH]c1=O)SCc1ccc(cc1)[N+](=O)[O-]
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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 C25H23N5O4S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O4S/c1-25(2)10-17-20(18(31)11-25)19(15-4-3-9-26-12-15)21-22(27-17)28-24(29-23(21)32)35-13-14-5-7-16(8-6-14)30(33)34/h3-9,12,19H,10-11,13H2,1-2H3,(H2,27,28,29,32)InChIKey
UTLJLQSPGIIHGQ-UHFFFAOYSA-NSynonyms
537044-91-0537044910
88dimethyl2((4nitrobenzyl)sulfanyl)5(pyridin3yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2((4nitrophenyl)methylsulfanyl)5pyridin3yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)(N+)(=O)(O))C5=CN=CC=C5)C(=O)C1)C
InChI=1SC25H23N5O4Sc125(2)101720(18(31)1125)19(15439261215)2122(2717)2824(2923(21)32)3513145716(8614)30(33)34h391219H101113H212H3(H227282932)
MFCD04212002
O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc((nH)c1=O)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000012384455
ZINC000012384456
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