Vitas-M small molecule compound
2'-amino-5-fluoro-7',7'-dimethyl-1'-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK685015
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C)C2=C(C31C(=O)Nc1c3cc(F)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 C29H25FN6O2S2 MW 572.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN6O2S2/c1-15-5-4-6-16(9-15)14-39-27-35-34-26(40-27)36-21-11-28(2,3)12-22(37)23(21)29(19(13-31)24(36)32)18-10-17(30)7-8-20(18)33-25(29)38/h4-10H,11-12,14,32H2,1-3H3,(H,33,38)InChIKey
FAKDSPLXROPPFD-UHFFFAOYSA-NSynonyms
2amino5fluoro77dimethyl1(5((3methylbenzyl)sulfanyl)134thiadiazol2yl)25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro77dimethyl1(5((3methylphenyl)methylsulfanyl)134thiadiazol2yl)25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1=CC(=CC=C1)CSC2=NN=C(S2)N3C4=C(C(=O)CC(C4)(C)C)C5(C6=C(C=CC(=C6)F)NC5=O)C(=C3N)C#N
InChI=1SC29H25FN6O2S2c11554616(915)143927353426(4027)36211128(23)1222(37)23(21)29(19(1331)24(36)32)181017(30)7820(18)3325(29)38h410H11121432H213H3(H3338)
MFCD05856916
ZINC000098007255
ZINC000098007256
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