Vitas-M small molecule compound
10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Catalog ID
STK326286
SMILES CCCSc1nnc2c(n1)OC1(CCCC1)Nc1c2cc(Br)cc1
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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 C17H19BrN4OS MW 407.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4OS/c1-2-9-24-16-19-15-14(21-22-16)12-10-11(18)5-6-13(12)20-17(23-15)7-3-4-8-17/h5-6,10,20H,2-4,7-9H2,1H3InChIKey
KVJVZTLUGCKIRL-UHFFFAOYSA-NSynonyms
10bromo3(propylsulfanyl)7Hspiro(cyclopentane16(124)triazino(56d)(31)benzoxazepine)
10BROMO3PROPYLSULFANYLSPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOPENTANE)
CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)CCCC4)N=N1
InChI=1SC17H19BrN4OSc1292416191514(212216)121011(18)5613(12)2017(2315)734817h561020H2479H21H3
MFCD02168449
ZINC000005735998
ZINC05735998
ZINC5735998
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