Vitas-M small molecule compound
3-{[4-(4-butylphenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK453620
SMILES CCCCc1ccc(cc1)c1csc(c1C(=O)OCC)NC(=O)C1C2CCC(C1C(=O)O)O2
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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 C25H29NO6S MW 471.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6S/c1-3-5-6-14-7-9-15(10-8-14)16-13-33-23(19(16)25(30)31-4-2)26-22(27)20-17-11-12-18(32-17)21(20)24(28)29/h7-10,13,17-18,20-21H,3-6,11-12H2,1-2H3,(H,26,27)(H,28,29)InChIKey
CXNJPTWSJVTPCZ-UHFFFAOYSA-NSynonyms
2((4(4BUTYLPHENYL)3ETHOXYCARBONYLTHIOPHEN2YL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(4butylphenyl)3(ethoxycarbonyl)thiophen2yl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(4(4BUTYLPHENYL)3(ETHOXYCARBONYL)2THIENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC25H29NO6Sc1356147915(10814)16133323(19(16)25(30)3142)2622(27)2017111218(3217)21(20)24(28)29h7101317182021H361112H212H3(H2627)(H2829)
MFCD02606108
ZINC000138708835
ZINC000225615880
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