Vitas-M small molecule compound
3-[(3-carbamoyl-4,5-dihydronaphtho[1,2-b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK468628
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCc1c2cccc1
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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c23-19(25)17-14-8-7-10-3-1-2-4-13(10)18(14)29-21(17)24-20(26)15-11-5-6-12(9-11)16(15)22(27)28/h1-6,11-12,15-16H,7-9H2,(H2,23,25)(H,24,26)(H,27,28)InChIKey
UCSAXWWURHOFEE-UHFFFAOYSA-NSynonyms
2((3carbamoyl45dihydrobenzo(g)(1)benzothiol2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3carbamoyl45dihydronaphtho(12b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3CARBAMOYL45DIHYDROBENZO(G)BENZO(B)THIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)C4C5CC(C4C(=O)O)C=C5
InChI=1SC22H20N2O4Sc2319(25)17148710312413(10)18(14)2921(17)2420(26)15115612(911)16(15)22(27)28h1611121516H79H2(H22325)(H2426)(H2728)
MFCD06026159
ZINC000102334731
ZINC000239415283
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