Vitas-M small molecule compound
methyl 4-[2-methyl-7-(thiophen-2-yl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Catalog ID
STL054976
SMILES COC(=O)c1ccc(cc1)C1Oc2ccc(cc2C2=C1C(c1cccs1)n1c(N2)ncn1)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 C25H20N4O3S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S/c1-14-5-10-18-17(12-14)21-20(23(32-18)15-6-8-16(9-7-15)24(30)31-2)22(19-4-3-11-33-19)29-25(28-21)26-13-27-29/h3-13,22-23H,1-2H3,(H,26,27,28)InChIKey
SAFJDCQDWKWDLU-UHFFFAOYSA-NSynonyms
877803-47-9877803479
CC1=CC2=C(C=C1)OC(C3=C2N=C4N=CNN4C3C5=CC=CS5)C6=CC=C(C=C6)C(=O)OC
InChI=1SC25H20N4O3Sc1145101817(1214)2120(23(3218)156816(9715)24(30)312)22(1943113319)2925(2821)26132729h3132223H12H3(H262728)
methyl4(2methyl7(thiophen2yl)712dihydro6Hchromeno(43d)(124)triazolo(15a)pyrimidin6yl)benzoate
MFCD05704524
ZINC000009346075
ZINC000013811403
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