Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021028
SMILES N#C/C(=C\c1ccc(s1)C)/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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-12(2)26-21(25)18-16-6-4-5-7-17(16)28-20(18)23-19(24)14(11-22)10-15-9-8-13(3)27-15/h8-10,12H,4-7H2,1-3H3,(H,23,24)/b14-10+InChIKey
BWTNKNWCYNXCOC-GXDHUFHOSA-NSynonyms
488137-66-2(E)isopropyl2(2cyano3(5methylthiophen2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488137662
CC1=CC=C(S1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C
InChI=1SC21H22N2O3S2c112(2)2621(25)1816645717(16)2820(18)2319(24)14(1122)10159813(3)2715h81012H47H213H3(H2324)b1410+
MFCD03290367
N#CC(=Cc1ccc(s1)C)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(5methylthiophen2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3(5methylthiophen2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000001454093
ZINC01454093
ZINC1454093
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