Vitas-M small molecule compound

methyl 6-phenyl-2-{[(3-propoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK424188
SMILES CCCOc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCC(C2)c1ccccc1

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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 C26H27NO4S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4S/c1-3-14-31-20-11-7-10-19(15-20)24(28)27-25-23(26(29)30-2)21-13-12-18(16-22(21)32-25)17-8-5-4-6-9-17/h4-11,15,18H,3,12-14,16H2,1-2H3,(H,27,28)
InChIKey
WRFCQYMMSUEKKF-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC
InChI=1SC26H27NO4Sc131431201171019(1520)24(28)272523(26(29)302)21131218(1622(21)3225)178546917h4111518H3121416H212H3(H2728)
methyl6phenyl2(((3propoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6phenyl2((3propoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01922047
ZINC000002750873
ZINC000002750874

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Available files

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