Vitas-M small molecule compound
methyl 5-({[5-cyano-3,3-dimethyl-8-(piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STK630191
SMILES COC(=O)c1ccc(o1)CSc1nc(N2CCNCC2)c2c(c1C#N)CC(OC2)(C)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-22(2)10-15-16(11-23)20(31-13-14-4-5-18(30-14)21(27)28-3)25-19(17(15)12-29-22)26-8-6-24-7-9-26/h4-5,24H,6-10,12-13H2,1-3H3InChIKey
DPFFABLOTHTGDD-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(=NC(=C2CO1)N3CCNCC3)SCC4=CC=C(O4)C(=O)OC)C#N)C
InChI=1SC22H26N4O4Sc122(2)101516(1123)20(3113144518(3014)21(27)283)2519(17(15)122922)2686247926h4524H6101213H213H3
methyl5(((5cyano33dimethyl8(piperazin1yl)34dihydro1Hpyrano(34c)pyridin6yl)sulfanyl)methyl)furan2carboxylate
methyl5(((5cyano33dimethyl8(piperazin1yl)34dihydro1Hpyrano(34c)pyridin6yl)thio)methyl)furan2carboxylateoxalate
methyl5((5cyano33dimethyl8piperazin1yl14dihydropyrano(34c)pyridin6yl)sulfanylmethyl)furan2carboxylate
MFCD09846425
OC(=O)C(=O)OCOC(=O)c1ccc(o1)CSc1nc(N2CCNCC2)c2c(c1C#N)CC(OC2)(C)C
ZINC000009575651
ZINC9575651
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