Vitas-M small molecule compound
10'-bromo-5-fluoro-3'-(propylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Catalog ID
STK327376
SMILES CCCSc1nnc2c(n1)OC1(Nc3c2cc(Br)cc3)C(=O)Nc2c1cc(F)cc2
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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 C20H15BrFN5O2S MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrFN5O2S/c1-2-7-30-19-24-17-16(26-27-19)12-8-10(21)3-5-14(12)25-20(29-17)13-9-11(22)4-6-15(13)23-18(20)28/h3-6,8-9,25H,2,7H2,1H3,(H,23,28)InChIKey
UJTNVUPCIUXELI-UHFFFAOYSA-NSynonyms
10bromo5fluoro3(propylsulfanyl)7Hspiro(indole36(124)triazino(56d)(31)benzoxazepin)2(1H)one
10BROMO5FLUORO3PROPYLSULFANYLSPIRO(1HINDOLE367H(124)TRIAZINO(56D)(31)BENZOXAZEPINE)2ONE
CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)C5=C(C=CC(=C5)F)NC4=O)N=N1
InChI=1SC20H15BrFN5O2Sc1273019241716(262719)12810(21)3514(12)2520(2917)13911(22)4615(13)2318(20)28h368925H27H21H3(H2328)
MFCD03718540
ZINC000002823768
ZINC000002823769
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