Vitas-M small molecule compound
benzyl 6'-amino-5'-cyano-3'-{[(4-methylphenyl)sulfanyl]methyl}-1H,1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-1-carboxylate
Catalog ID
STK560587
SMILES N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)OCc1ccccc1)c(n[nH]2)CSc1ccc(cc1)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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-18-7-9-20(10-8-18)36-17-22-23-25(31-30-22)35-24(29)21(15-28)27(23)11-13-32(14-12-27)26(33)34-16-19-5-3-2-4-6-19/h2-10H,11-14,16-17,29H2,1H3,(H,30,31)InChIKey
HVLQYXNCDAFPFH-UHFFFAOYSA-NSynonyms
385390-67-0385390670
benzyl6amino5cyano3(((4methylphenyl)sulfanyl)methyl)1H1Hspiro(piperidine44pyrano(23c)pyrazole)1carboxylate
BENZYL6AMINO5CYANO3((4METHYLPHENYL)SULFANYLMETHYL)SPIRO(2HPYRANO(23C)PYRAZOLE44PIPERIDINE)1CARBOXYLATE
benzyl6amino5cyano3((ptolylthio)methyl)2Hspiro(piperidine44pyrano(23c)pyrazole)1carboxylate
CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34CCN(CC4)C(=O)OCC5=CC=CC=C5)C#N)N
InChI=1SC27H27N5O3Sc1187920(10818)3617222325(313022)3524(29)21(1528)27(23)111332(141227)26(33)3416195324619h210H1114161729H21H3(H3031)
MFCD03811261
N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)OCc1ccccc1)c(CSc1ccc(cc1)C)(nH)n2
N#CC1=C(N)Oc2c(C31CCN(CC3)C(=O)OCc1ccccc1)c(n(nH)2)CSc1ccc(cc1)C
ZINC000008557769
ZINC08557769
ZINC8557769
Check stock
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Check stock on Vitas-MAvailable files
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