Vitas-M small molecule compound
methyl (2E)-2-{[(6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STK649180
SMILES COC(=O)c1s/c(=N/C(=O)c2nn(c3c2Cc2c3cc(c(c2)OC)OC)C)/[nH]c1C
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-9-17(19(26)29-5)30-20(21-9)22-18(25)15-12-6-10-7-13(27-3)14(28-4)8-11(10)16(12)24(2)23-15/h7-8H,6H2,1-5H3,(H,21,22,25)InChIKey
VXESNMMCUXUFMQ-UHFFFAOYSA-NSynonyms
1144429-77-51144429775
CC1=C(SC(=N1)NC(=O)C2=NN(C3=C2CC4=CC(=C(C=C43)OC)OC)C)C(=O)OC
COC(=O)c1sc(=NC(=O)c2nn(c3c2Cc2c3cc(c(c2)OC)OC)C)(nH)c1C
InChI=1SC20H20N4O5Sc1917(19(26)295)3020(219)2218(25)1512610713(273)14(284)811(10)16(12)24(2)2315h78H6H215H3(H212225)
methyl(2E)2(((67dimethoxy1methyl14dihydroindeno(12c)pyrazol3yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
methyl2((67dimethoxy1methyl4Hindeno(12c)pyrazole3carbonyl)amino)4methyl13thiazole5carboxylate
MFCD18165180
ZINC000031812682
ZINC31812682
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