Vitas-M small molecule compound
3,4-dimethyl-6-{[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK470971
SMILES OC(=O)C1CC(=C(CC1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)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 C23H30N2O5S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O5S/c1-13-11-16(17(23(28)29)12-14(13)2)20(26)24-21-19(15-5-3-4-6-18(15)31-21)22(27)25-7-9-30-10-8-25/h16-17H,3-12H2,1-2H3,(H,24,26)(H,28,29)InChIKey
PTRBKSQNEGXMPQ-UHFFFAOYSA-NSynonyms
34dimethyl6((3(morpholin4ylcarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
34dimethyl6((3(morpholine4carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CC1=C(CC(C(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCOCC4)C(=O)O)C
InChI=1SC23H30N2O5Sc1131116(17(23(28)29)1214(13)2)20(26)242119(15534618(15)3121)22(27)25793010825h1617H312H212H3(H2426)(H2829)
MFCD06021238
ZINC000019644950
ZINC000019644958
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