Vitas-M small molecule compound
6-({2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinyl}carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK449364
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)NNC(=O)c1csc2c1CCC(C2)C(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 C23H32N2O4S MW 432.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O4S/c1-12-8-16(17(22(28)29)9-13(12)2)20(26)24-25-21(27)18-11-30-19-10-14(23(3,4)5)6-7-15(18)19/h11,14,16-17H,6-10H2,1-5H3,(H,24,26)(H,25,27)(H,28,29)InChIKey
XPOOSJNLSWFSSY-UHFFFAOYSA-NSynonyms
6(((6tertbutyl4567tetrahydro1benzothiophene3carbonyl)amino)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((2((6tertbutyl4567tetrahydro1benzothiophen3yl)carbonyl)hydrazinyl)carbonyl)34dimethylcyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NNC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C)C(=O)O)C
InChI=1SC23H32N2O4Sc112816(17(22(28)29)913(12)2)20(26)242521(27)181130191014(23(34)5)6715(18)19h11141617H610H215H3(H2426)(H2527)(H2829)
MFCD03467138
ZINC000008455610
ZINC000239433390
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