Vitas-M small molecule compound
methyl 4-[5-(2-methoxyethyl)-6-oxo-3-(thiophen-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Catalog ID
STK788219
SMILES COCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(n[nH]2)c1cccs1
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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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-26-10-9-23-18(12-5-7-13(8-6-12)20(25)27-2)15-16(14-4-3-11-28-14)21-22-17(15)19(23)24/h3-8,11,18H,9-10H2,1-2H3,(H,21,22)InChIKey
XMDBDEGVXKHRSI-UHFFFAOYSA-NSynonyms
944787-48-8944787488
COCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(n(nH)2)c1cccs1
COCCN1C(C2=C(NN=C2C1=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC
InChI=1SC20H19N3O4Sc1261092318(125713(8612)20(25)272)1516(1443112814)212217(15)19(23)24h381118H910H212H3(H2122)
methyl4(5(2methoxyethyl)6oxo3(thiophen2yl)1456tetrahydropyrrolo(34c)pyrazol4yl)benzoate
methyl4(5(2methoxyethyl)6oxo3thiophen2yl24dihydropyrrolo(34c)pyrazol4yl)benzoate
MFCD12035328
ZINC000020714684
ZINC000020714688
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