Vitas-M small molecule compound
methyl 2-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK467989
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)/C=C/c1ccc(cc1)C(C)(C)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 C25H31NO3S MW 425.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3S/c1-6-16-9-13-19-20(15-16)30-23(22(19)24(28)29-5)26-21(27)14-10-17-7-11-18(12-8-17)25(2,3)4/h7-8,10-12,14,16H,6,9,13,15H2,1-5H3,(H,26,27)/b14-10+InChIKey
MFHAQRDSARVITJ-GXDHUFHOSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C
CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C=Cc1ccc(cc1)C(C)(C)C
InChI=1SC25H31NO3Sc16169131920(1516)3023(22(19)24(28)295)2621(27)14101771118(12817)25(23)4h7810121416H691315H215H3(H2627)b1410+
methyl2(((2E)3(4tertbutylphenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(4tertbutylphenyl)prop2enoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
MFCD03367308
ZINC000006119501
ZINC000006122446
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