Vitas-M small molecule compound

methyl 2-{[(2Z)-2-cyano-3-phenylprop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL332085
SMILES N#C/C(=C/c1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)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 C21H20N2O3S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S/c1-13-8-9-16-17(10-13)27-20(18(16)21(25)26-2)23-19(24)15(12-22)11-14-6-4-3-5-7-14/h3-7,11,13H,8-10H2,1-2H3,(H,23,24)/b15-11-
InChIKey
BDYIAVDABYBAIH-PTNGSMBKSA-N
Synonyms
307536-83-0
(Z)methyl2(2cyano3phenylacrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
307536830
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(=CC3=CC=CC=C3)C#N
InChI=1SC21H20N2O3Sc113891617(1013)2720(18(16)21(25)262)2319(24)15(1222)11146435714h371113H810H212H3(H2324)b1511
methyl2(((2Z)2cyano3phenylprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)2cyano3phenylprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD03000579
N#CC(=Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)C
ZINC000004860757
ZINC000004860758

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Available files

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