Vitas-M small molecule compound
4-{[(2R,3S,4S)-2-ethyl-3-methyl-1-{[4-(propan-2-yl)phenyl]carbonyl}-1,2,3,4-tetrahydroquinolin-4-yl]amino}phenyl thiocyanate
Catalog ID
STK072805
SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(cc2)SC#N)c2c(N1C(=O)c1ccc(cc1)C(C)C)cccc2
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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 C29H31N3OS MW 469.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3OS/c1-5-26-20(4)28(31-23-14-16-24(17-15-23)34-18-30)25-8-6-7-9-27(25)32(26)29(33)22-12-10-21(11-13-22)19(2)3/h6-17,19-20,26,28,31H,5H2,1-4H3/t20-,26-,28+/m1/s1InChIKey
HCLBIUVDGKKIDF-LVPRMVSMSA-NSynonyms
(4(((2R3S4S)2ethyl3methyl1(4propan2ylbenzoyl)34dihydro2Hquinolin4yl)amino)phenyl)thiocyanate
4(((2R3S4S)2ethyl3methyl1((4(propan2yl)phenyl)carbonyl)1234tetrahydroquinolin4yl)amino)phenylthiocyanate
CC(C@@H)1(C@@H)(C)(C@H)(Nc2ccc(cc2)SC#N)c2c(N1C(=O)c1ccc(cc1)C(C)C)cccc2
CCC1C(C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C(C)C)NC4=CC=C(C=C4)SC#N)C
InChI=1SC29H31N3OSc152620(4)28(3123141624(171523)341830)25867927(25)32(26)29(33)22121021(111322)19(2)3h6171920262831H5H214H3t202628+m1s1
MFCD13368375
STK072805
ZINC000009635881
ZINC09635881
ZINC9635881
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