Vitas-M small molecule compound

5-(3-methoxyphenyl)-8,8-dimethyl-2-[(2-methylbenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STL193586
SMILES COc1cccc(c1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1C)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 C28H29N3O3S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S/c1-16-8-5-6-9-18(16)15-35-27-30-25-24(26(33)31-27)22(17-10-7-11-19(12-17)34-4)23-20(29-25)13-28(2,3)14-21(23)32/h5-12,22H,13-15H2,1-4H3,(H2,29,30,31,33)
InChIKey
RLDUQWQESFHQDI-UHFFFAOYSA-N
Synonyms

5(3methoxyphenyl)88dimethyl2((2methylbenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3methoxyphenyl)88dimethyl2((2methylphenyl)methylsulfanyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1=CC=CC=C1CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=CC(=CC=C5)OC)C(=O)CC(C4)(C)C
COc1cccc(c1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1C)CC(CC2=O)(C)C
InChI=1SC28H29N3O3Sc116856918(16)153527302524(26(33)3127)22(171071119(1217)344)2320(2925)1328(23)1421(23)32h51222H1315H214H3(H229303133)
MFCD14730262
ZINC000009942534
ZINC000009942540

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Available files

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