Vitas-M small molecule compound
ethyl 2-{[(2Z)-2-cyano-3-(3-phenyl-1H-pyrazol-5-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK392377
SMILES CCOC(=O)c1c(NC(=O)/C(=C\c2[nH]nc(c2)c2ccccc2)/C#N)sc2c1CCCC2
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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-2-31-24(30)21-18-10-6-7-11-20(18)32-23(21)26-22(29)16(14-25)12-17-13-19(28-27-17)15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,26,29)(H,27,28)/b16-12-InChIKey
URUZDABCHSGDDN-VBKFSLOCSA-NSynonyms
(E)ethyl2(2cyano3(3phenyl1Hpyrazol5yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC(=NN3)C4=CC=CC=C4)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2(nH)nc(c2)c2ccccc2)C#N)sc2c1CCCC2
ethyl2(((2Z)2cyano3(3phenyl1Hpyrazol5yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)2cyano3(3phenyl1Hpyrazol5yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H22N4O3Sc123124(30)211810671120(18)3223(21)2622(29)16(1425)12171319(282717)158435915h35891213H2671011H21H3(H2629)(H2728)b1612
MFCD01918077
ZINC000015723589
ZINC15723589
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