Vitas-M small molecule compound
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Catalog ID
STK120412
SMILES O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)CSc1nnc2c(n1)n(Cc1ccccc1)c1c2cccc1
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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 C29H25N7O2S MW 535.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N7O2S/c1-19-25(28(38)36(34(19)2)21-13-7-4-8-14-21)30-24(37)18-39-29-31-27-26(32-33-29)22-15-9-10-16-23(22)35(27)17-20-11-5-3-6-12-20/h3-16H,17-18H2,1-2H3,(H,30,37)InChIKey
NVJOQQANZLYECR-UHFFFAOYSA-NSynonyms
439939-88-52((5BENZYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)ACETAMIDE
2((5BENZYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)ACETAMIDE
439939885
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3
InChI=1SC29H25N7O2Sc11925(28(38)36(34(19)2)21137481421)3024(37)183929312726(323329)22159101623(22)35(27)1720115361220h316H1718H212H3(H3037)
MFCD02932514
ZINC000002750983
ZINC2750983
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