Vitas-M small molecule compound
3-({2-[(4-butoxyphenyl)carbonyl]hydrazinyl}carbonyl)-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK427535
SMILES CCCCOc1ccc(cc1)C(=O)NNC(=O)C1C2CCC(C1C(=O)O)C2=C(C)C
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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 C23H30N2O5 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5/c1-4-5-12-30-15-8-6-14(7-9-15)21(26)24-25-22(27)19-16-10-11-17(18(16)13(2)3)20(19)23(28)29/h6-9,16-17,19-20H,4-5,10-12H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)InChIKey
VLPKQCCRHBLLBM-UHFFFAOYSA-NSynonyms
2(((4BUTOXYBENZOYL)AMINO)CARBAMOYL)7PROPAN2YLIDENEBICYCLO(221)HEPTANE3CARBOXYLICACID
3((2((4butoxyphenyl)carbonyl)hydrazinyl)carbonyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N((4BUTOXYPHENYL)CARBONYLAMINO)CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C
InChI=1SC23H30N2O5c1451230158614(7915)21(26)242522(27)1916101117(18(16)13(2)3)20(19)23(28)29h6916171920H451012H213H3(H2426)(H2527)(H2829)
MFCD02612506
ZINC000225584378
ZINC000239425916
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