Vitas-M small molecule compound

N-{3-[(4-benzylpiperazin-1-yl)carbonyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-3-methylbenzamide

Catalog ID
STK087473
SMILES Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N1CCN(CC1)Cc1ccccc1)CCC2

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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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-19-7-5-10-21(17-19)25(31)28-26-24(22-11-6-12-23(22)33-26)27(32)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,31)
InChIKey
BCGLCECNVJYMAR-UHFFFAOYSA-N
Synonyms

(3METHYLPHENYL)N(3((4BENZYLPIPERAZINYL)CARBONYL)(456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL))CARBOXAMIDE
CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5
Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N1CCN(CC1)Cc1ccccc1)CCC2
InChI=1SC27H29N3O2Sc119751021(1719)25(31)282624(221161223(22)3326)27(32)30151329(141630)18208324920h2571017H6111618H21H3(H2831)
MFCD01872121
N(3((4BENZYLPIPERAZIN1YL)CARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)3METHYLBENZAMIDE
N(3(4BENZYLPIPERAZINE1CARBONYL)56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)3METHYLBENZAMIDE
STK087473
ZINC000019774321
ZINC19774321

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Available files

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