Vitas-M small molecule compound
4-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
Catalog ID
STK885735
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C21CCCCC2)C(=O)Nc1ccccc1)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 C27H27BrN4O2S MW 551.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN4O2S/c1-18-24(25(34)32-20-8-4-2-5-9-20)27(14-6-3-7-15-27)22(16-29)26(30-18)35-17-23(33)31-21-12-10-19(28)11-13-21/h2,4-5,8-13,30H,3,6-7,14-15,17H2,1H3,(H,31,33)(H,32,34)InChIKey
NNMLPEJYMBXXEB-UHFFFAOYSA-NSynonyms
2(2(4bromoanilino)2oxoethyl)sulfanyl1cyano4methylNphenyl3azaspiro(55)undeca14diene5carboxamide
4((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano2methylNphenyl3azaspiro(55)undeca14diene1carboxamide
4((2(4BROMOANILINO)2OXOETHYL)THIO)5CYANO2METHYLNPHENYL3AZASPIRO(55)UNDECA14DIENE1CARBOXAMIDE
8(2(4BROMOANILINO)2OXOETHYL)SULFANYL7CYANO10METHYLNPHENYL9AZASPIRO(55)UNDECA710DIENE11CARBOXAMIDE
CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N)C(=O)NC4=CC=CC=C4
InChI=1SC27H27BrN4O2Sc11824(25(34)32208425920)27(146371527)22(1629)26(3018)351723(33)3121121019(28)111321h24581330H367141517H21H3(H3133)(H3234)
MFCD00315792
ZINC000005544452
ZINC5544452
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