Vitas-M small molecule compound
3-({3-[(3-methylphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK466505
SMILES Cc1cccc(c1)NC(=O)c1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCCC2
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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 C26H28N2O4S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S/c1-14-6-5-7-17(12-14)27-24(30)22-18-8-3-2-4-9-19(18)33-25(22)28-23(29)20-15-10-11-16(13-15)21(20)26(31)32/h5-7,10-12,15-16,20-21H,2-4,8-9,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)InChIKey
QAXFTQRBJCFMKX-UHFFFAOYSA-NSynonyms
2((3((3methylphenyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3((3methylphenyl)carbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC26H28N2O4Sc11465717(1214)2724(30)22188324919(18)3325(22)2823(29)2015101116(1315)21(20)26(31)32h57101215162021H248913H21H3(H2730)(H2829)(H3132)
MFCD06021360
ZINC000102328786
ZINC000239174449
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