Vitas-M small molecule compound

(1R,2S,1'S,2'R)-2,2'-[ethane-1,2-diylbis(phenylcarbamoyl)]dicyclohexanecarboxylic acid

Catalog ID
STK038608
SMILES OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(c1ccccc1)CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1

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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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c33-27(23-15-7-9-17-25(23)29(35)36)31(21-11-3-1-4-12-21)19-20-32(22-13-5-2-6-14-22)28(34)24-16-8-10-18-26(24)30(37)38/h1-6,11-14,23-26H,7-10,15-20H2,(H,35,36)(H,37,38)/t23-,24+,25+,26-
InChIKey
KDCQIZLSYMBHQG-FATVKVNYSA-N
Synonyms

(1R2S)2(2(N((1R2S)2carboxycyclohexanecarbonyl)anilino)ethylphenylcarbamoyl)cyclohexane1carboxylicacid
(1R2S1S2R)22(ETHANE12DIYLBIS(PHENYLCARBAMOYL))DICYCLOHEXANECARBOXYLICACID
(2S1R)2(N(2(((2S1R)2CARBOXYCYCLOHEXYL)NPHENYLCARBONYLAMINO)ETHYL)NPHENYLCARBAMOYL)CYCLOHEXANECARBOXYLICACID
C1CCC(C(C1)C(=O)N(CCN(C2=CC=CC=C2)C(=O)C3CCCCC3C(=O)O)C4=CC=CC=C4)C(=O)O
InChI=1SC30H36N2O6c3327(2315791725(23)29(35)36)31(21113141221)192032(22135261422)28(34)24168101826(24)30(37)38h1611142326H7101520H2(H3536)(H3738)t2324+25+26
MFCD03544640
OC(=O)(C@@H)1CCCC(C@@H)1C(=O)N(c1ccccc1)CCN(C(=O)(C@@H)1CCCC(C@@H)1C(=O)O)c1ccccc1
STK038608
ZINC000008874010
ZINC8874010

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Available files

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