Vitas-M small molecule compound
3-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK400595
SMILES O=C(C1C2CCC(C1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2
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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 C24H34N2O4S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N2O4S/c25-21(27)20-16-9-7-5-3-1-2-4-6-8-10-17(16)31-23(20)26-22(28)18-14-11-12-15(13-14)19(18)24(29)30/h14-15,18-19H,1-13H2,(H2,25,27)(H,26,28)(H,29,30)InChIKey
BVGGTJJWFYUXAB-UHFFFAOYSA-NSynonyms
2((3carbamoyl45678910111213decahydrocyclododeca(b)thiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3carbamoyl45678910111213decahydrocyclododeca(b)thiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3C4CCC(C4)C3C(=O)O)C(=O)N
InChI=1SC24H34N2O4Sc2521(27)20169753124681017(16)3123(20)2622(28)1814111215(1314)19(18)24(29)30h14151819H113H2(H22527)(H2628)(H2930)
MFCD02255587
ZINC000102164389
ZINC000239025592
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