Vitas-M small molecule compound
2'-amino-1'-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,7',7'-trimethyl-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK685048
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2)C2=C(C31C(=O)Nc1c3cc(C)cc1)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 C29H26N6O2S2 MW 554.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O2S2/c1-16-9-10-20-18(11-16)29(25(37)32-20)19(14-30)24(31)35(21-12-28(2,3)13-22(36)23(21)29)26-33-34-27(39-26)38-15-17-7-5-4-6-8-17/h4-11H,12-13,15,31H2,1-3H3,(H,32,37)InChIKey
MNZAFPPKCGCBSE-UHFFFAOYSA-NSynonyms
2amino1(5(benzylsulfanyl)134thiadiazol2yl)577trimethyl25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino1(5benzylsulfanyl134thiadiazol2yl)577trimethyl25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1=CC2=C(C=C1)NC(=O)C23C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=NN=C(S5)SCC6=CC=CC=C6)N)C#N
InChI=1SC29H26N6O2S2c1169102018(1116)29(25(37)3220)19(1430)24(31)35(211228(23)1322(36)23(21)29)26333427(3926)3815177546817h411H12131531H213H3(H3237)
MFCD05857040
ZINC000098007276
ZINC000098007277
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