Vitas-M small molecule compound
5-oxo-5-({3-[(pyridin-3-ylmethyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)pentanoic acid
Catalog ID
STK471742
SMILES OC(=O)CCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2
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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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c25-17(9-4-10-18(26)27)24-21-19(15-7-2-1-3-8-16(15)29-21)20(28)23-13-14-6-5-11-22-12-14/h5-6,11-12H,1-4,7-10,13H2,(H,23,28)(H,24,25)(H,26,27)InChIKey
CBTPPUGTADYFFD-UHFFFAOYSA-NSynonyms
5oxo5((3((pyridin3ylmethyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)pentanoicacid
5oxo5((3(pyridin3ylmethylcarbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)pentanoicacid
C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)CCCC(=O)O
InChI=1SC21H25N3O4Sc2517(941018(26)27)242119(157213816(15)2921)20(28)2313146511221214h561112H1471013H2(H2328)(H2425)(H2627)
MFCD06079692
ZINC000017090334
ZINC17090334
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