Vitas-M small molecule compound
5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-[(pyridin-3-ylmethyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STL193585
SMILES COc1c(OC)cccc1C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1cccnc1)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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-27(2)11-17-21(18(32)12-27)20(16-8-5-9-19(34-3)23(16)35-4)22-24(29-17)30-26(31-25(22)33)36-14-15-7-6-10-28-13-15/h5-10,13,20H,11-12,14H2,1-4H3,(H2,29,30,31,33)InChIKey
ASNUPZZREGCOPV-UHFFFAOYSA-NSynonyms
5(23dimethoxyphenyl)88dimethyl2((pyridin3ylmethyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(23dimethoxyphenyl)88dimethyl2(pyridin3ylmethylsulfanyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CN=CC=C4)C5=C(C(=CC=C5)OC)OC)C(=O)C1)C
COc1c(OC)cccc1C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1cccnc1)CC(CC2=O)(C)C
InChI=1SC27H28N4O4Sc127(2)111721(18(32)1227)20(1685919(343)23(16)354)2224(2917)3026(3125(22)33)3614157610281315h5101320H111214H214H3(H229303133)
MFCD14730455
ZINC000004787177
ZINC000004787185
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