Vitas-M small molecule compound
3'-[(2-chlorobenzyl)sulfanyl]-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Catalog ID
STK326294
SMILES Clc1ccccc1CSc1nnc2c(n1)OC1(CCCCC1)Nc1c2cccc1
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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 C22H21ClN4OS MW 424.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4OS/c23-17-10-4-2-8-15(17)14-29-21-24-20-19(26-27-21)16-9-3-5-11-18(16)25-22(28-20)12-6-1-7-13-22/h2-5,8-11,25H,1,6-7,12-14H2InChIKey
XPOJGKOMAXHZHH-UHFFFAOYSA-NSynonyms
3((2CHLOROBENZYL)SULFANYL)67DIHYDROSPIRO((124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOHEXANE)
3((2chlorobenzyl)sulfanyl)7Hspiro(cyclohexane16(124)triazino(56d)(31)benzoxazepine)
3((2CHLOROPHENYL)METHYLSULFANYL)SPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOHEXANE)
C1CCC2(CC1)NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl
InChI=1SC22H21ClN4OSc23171042815(17)142921242019(262721)169351118(16)2522(2820)126171322h2581125H1671214H2
MFCD02071187
ZINC000002087032
ZINC02087032
ZINC2087032
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