Vitas-M small molecule compound
2'-amino-6-chloro-7,7',7'-trimethyl-2,5'-dioxo-1'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK685054
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31C(=O)Nc1c3ccc(c1C)Cl)C(=O)CC(C2)(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 C30H24ClF3N6O2S2 MW 657.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClF3N6O2S2/c1-14-19(31)8-7-17-23(14)37-25(42)29(17)18(12-35)24(36)40(20-10-28(2,3)11-21(41)22(20)29)26-38-39-27(44-26)43-13-15-5-4-6-16(9-15)30(32,33)34/h4-9H,10-11,13,36H2,1-3H3,(H,37,42)InChIKey
OXIKDZYATZXFPT-UHFFFAOYSA-NSynonyms
2amino6chloro777trimethyl25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino6chloro777trimethyl25dioxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)spiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1=C(C=CC2=C1NC(=O)C23C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SCC6=CC(=CC=C6)C(F)(F)F)N)C#N)Cl
InChI=1SC30H24ClF3N6O2S2c11419(31)871723(14)3725(42)29(17)18(1235)24(36)40(201028(23)1121(41)22(20)29)26383927(4426)43131554616(915)30(3233)34h49H10111336H213H3(H3742)
MFCD05857055
ZINC000098007286
ZINC000098007287
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