Vitas-M small molecule compound

2-{[(2-methylphenyl)carbonyl]amino}-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Catalog ID
STK765708
SMILES O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1C)NCc1cccnc1

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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 C24H25N3O2S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O2S/c1-16-8-5-6-10-18(16)22(28)27-24-21(19-11-3-2-4-12-20(19)30-24)23(29)26-15-17-9-7-13-25-14-17/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,26,29)(H,27,28)
InChIKey
GUBOEUCFZMVLBJ-UHFFFAOYSA-N
Synonyms

2(((2methylphenyl)carbonyl)amino)N(pyridin3ylmethyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((2methylbenzoyl)amino)N(pyridin3ylmethyl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NCC4=CN=CC=C4
InChI=1SC24H25N3O2Sc1168561018(16)22(28)272421(19113241220(19)3024)23(29)2615179713251417h5101314H24111215H21H3(H2629)(H2728)
MFCD02641108
ZINC000001001481
ZINC01001481
ZINC1001481

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Available files

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