Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021029
SMILES N#C/C(=C\c1cccs1)/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-12(2)25-20(24)17-15-7-3-4-8-16(15)27-19(17)22-18(23)13(11-21)10-14-6-5-9-26-14/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,22,23)/b13-10+InChIKey
LWPPDZGWOTUBLB-JLHYYAGUSA-NSynonyms
500267-87-8(E)isopropyl2(2cyano3(thiophen2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
500267878
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CS3)C#N
InChI=1SC20H20N2O3S2c112(2)2520(24)1715734816(15)2719(17)2218(23)13(1121)10146592614h5691012H3478H212H3(H2223)b1310+
MFCD03299576
N#CC(=Cc1cccs1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(thiophen2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3thiophen2ylprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000001454091
ZINC01454091
ZINC1454091
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