Vitas-M small molecule compound

propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK428482
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N(CC)CC

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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 C27H38N2O7S MW 534.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O7S/c1-9-29(10-2)26(31)23-17(8)21(27(32)36-16(6)7)25(37-23)28-24(30)18-14-19(33-11-3)22(35-13-5)20(15-18)34-12-4/h14-16H,9-13H2,1-8H3,(H,28,30)
InChIKey
KVLDDUMOQYWGSH-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC)C(=O)OC(C)C)C
InChI=1SC27H38N2O7Sc1929(102)26(31)2317(8)21(27(32)3616(6)7)25(3723)2824(30)181419(33113)22(35135)20(1518)34124h1416H913H218H3(H2830)
ISOPROPYL5((DIETHYLAMINO)CARBONYL)4METHYL2((345TRIETHOXYBENZOYL)AMINO)3THIOPHENECARBOXYLATE
METHYLETHYL5(NNDIETHYLCARBAMOYL)4METHYL2((345TRIETHOXYPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01359080
propan2yl5(diethylcarbamoyl)4methyl2(((345triethoxyphenyl)carbonyl)amino)thiophene3carboxylate
PROPAN2YL5(DIETHYLCARBAMOYL)4METHYL2((345TRIETHOXYBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ZINC000008431508
ZINC08431508
ZINC8431508

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.