Vitas-M small molecule compound

5-(2-chlorophenyl)-3-{[3-(dimethylamino)propyl]sulfanyl}-7,9-dimethylpyrimido[5,4-e][1,2,4]triazolo[4,3-c]pyrimidine-8,10(7H,9H)-dione

Catalog ID
STK631574
SMILES CN(CCCSc1nnc2n1c(nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1Cl)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 C20H22ClN7O2S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN7O2S/c1-25(2)10-7-11-31-19-24-23-17-14-16(26(3)20(30)27(4)18(14)29)22-15(28(17)19)12-8-5-6-9-13(12)21/h5-6,8-9H,7,10-11H2,1-4H3
InChIKey
OECIDXIPSVWGFV-UHFFFAOYSA-N
Synonyms
1010874-23-3
1010874233
5(2chlorophenyl)3((3(dimethylamino)propyl)sulfanyl)79dimethylpyrimido(54e)(124)triazolo(43c)pyrimidine810(7H9H)dione
5(2chlorophenyl)3((3(dimethylamino)propyl)thio)79dimethylpyrimido(54e)(124)triazolo(43c)pyrimidine810(7H9H)dione
CN1C2=C(C3=NN=C(N3C(=N2)C4=CC=CC=C4Cl)SCCCN(C)C)C(=O)N(C1=O)C
InChI=1SC20H22ClN7O2Sc125(2)1071131192423171416(26(3)20(30)27(4)18(14)29)2215(28(17)19)12856913(12)21h5689H71011H214H3
MFCD12203595
ZINC000012407559
ZINC12407559

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Available files

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