Vitas-M small molecule compound
3-({3-[(pyridin-3-ylmethyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK466753
SMILES O=C(C1C2CCC(C1C(=O)O)C2)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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c29-22(27-13-14-5-4-10-26-12-14)21-17-6-2-1-3-7-18(17)33-24(21)28-23(30)19-15-8-9-16(11-15)20(19)25(31)32/h4-5,10,12,15-16,19-20H,1-3,6-9,11,13H2,(H,27,29)(H,28,30)(H,31,32)InChIKey
NUZUQBQXNZGNAY-UHFFFAOYSA-NSynonyms
2((3(pyridin3ylmethylcarbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3((pyridin3ylmethyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4C5CCC(C5)C4C(=O)O
InChI=1SC25H29N3O4Sc2922(2713145410261214)21176213718(17)3324(21)2823(30)19158916(1115)20(19)25(31)32h45101215161920H13691113H2(H2729)(H2830)(H3132)
MFCD06079689
ZINC000102329571
ZINC000239165279
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