Vitas-M small molecule compound
8,8-dimethyl-2-(methylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980761
SMILES COc1c(OC)cc(cc1OC)C1C2=C(Nc3c1c(=O)[nH]c(n3)SC)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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-23(2)9-12-17(13(27)10-23)16(18-20(24-12)25-22(32-6)26-21(18)28)11-7-14(29-3)19(31-5)15(8-11)30-4/h7-8,16H,9-10H2,1-6H3,(H2,24,25,26,28)InChIKey
LLSXOSGMXORJKH-UHFFFAOYSA-NSynonyms
537044-20-5537044205
88dimethyl2(methylsulfanyl)5(345trimethoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2methylsulfanyl5(345trimethoxyphenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
COc1c(OC)cc(cc1OC)C1C2=C(Nc3c1c(=O)(nH)c(n3)SC)CC(CC2=O)(C)C
InChI=1SC23H27N3O5Sc123(2)91217(13(27)1023)16(1820(2412)2522(326)2621(18)28)11714(293)19(315)15(811)304h7816H910H216H3(H224252628)
MFCD04457338
ZINC000017242261
ZINC000017242266
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