Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Catalog ID
STK207048
SMILES O=C1CC(C)(C)CC(=C1C(=S)Nc1ccc(c(c1)C)C)NCCc1c[nH]c2c1cccc2
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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 C27H31N3OS MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3OS/c1-17-9-10-20(13-18(17)2)30-26(32)25-23(14-27(3,4)15-24(25)31)28-12-11-19-16-29-22-8-6-5-7-21(19)22/h5-10,13,16,28-29H,11-12,14-15H2,1-4H3,(H,30,32)InChIKey
DEQZFNCOOQPLOZ-UHFFFAOYSA-NSynonyms
2(((34DIMETHYLPHENYL)AMINO)THIOXOMETHYL)3((2INDOL3YLETHYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
2(2(1HINDOL3YL)ETHYLAMINO)N(34DIMETHYLPHENYL)44DIMETHYL6OXOCYCLOHEX1ENECARBOTHIOAMIDE
CC1=C(C=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCC3=CNC4=CC=CC=C43)C
InChI=1SC27H31N3OSc11791020(1318(17)2)3026(32)2523(1427(34)1524(25)31)28121119162922865721(19)22h51013162829H11121415H214H3(H3032)
MFCD06191867
N(34DIMETHYLPHENYL)2((2(1HINDOL3YL)ETHYL)AMINO)44DIMETHYL6OXOCYCLOHEX1ENE1CARBOTHIOAMIDE
N(34DIMETHYLPHENYL)2(2(1HINDOL3YL)ETHYLAMINO)44DIMETHYL6OXOCYCLOHEXENE1CARBOTHIOAMIDE
O=C1CC(C)(C)CC(=C1C(=S)Nc1ccc(c(c1)C)C)NCCc1c(nH)c2c1cccc2
ZINC000019727921
ZINC19727921
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