Vitas-M small molecule compound
2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Catalog ID
STL405607
SMILES CCCCn1c(SCC(=O)Nn2c(C)nc3c(c2=O)cc(s3)C)nnc1c1cc(C)nc2c1c(C)nn2C
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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 C25H29N9O2S2 MW 551.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N9O2S2/c1-7-8-9-33-21(17-10-13(2)26-22-20(17)15(4)30-32(22)6)28-29-25(33)37-12-19(35)31-34-16(5)27-23-18(24(34)36)11-14(3)38-23/h10-11H,7-9,12H2,1-6H3,(H,31,35)InChIKey
QSYQWIZORCTGKQ-UHFFFAOYSA-NSynonyms
938010-30-12((4butyl5(136trimethyl1Hpyrazolo(34b)pyridin4yl)4H124triazol3yl)sulfanyl)N(26dimethyl4oxothieno(23d)pyrimidin3(4H)yl)acetamide
2((4butyl5(136trimethylpyrazolo(34b)pyridin4yl)124triazol3yl)sulfanyl)N(26dimethyl4oxothieno(23d)pyrimidin3yl)acetamide
938010301
CCCCN1C(=NN=C1SCC(=O)NN2C(=NC3=C(C2=O)C=C(S3)C)C)C4=CC(=NC5=C4C(=NN5C)C)C
InChI=1SC25H29N9O2S2c17893321(171013(2)262220(17)15(4)3032(22)6)282925(33)371219(35)313416(5)272318(24(34)36)1114(3)3823h1011H7912H216H3(H3135)
MFCD08556721
ZINC000098046242
ZINC98046242
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