Vitas-M small molecule compound
3'-(methylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Catalog ID
STK123683
SMILES CSc1nnc2c(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 C16H18N4OS MW 314.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4OS/c1-22-15-17-14-13(19-20-15)11-7-3-4-8-12(11)18-16(21-14)9-5-2-6-10-16/h3-4,7-8,18H,2,5-6,9-10H2,1H3InChIKey
KRQGLAIGSQNSNK-UHFFFAOYSA-NSynonyms
41384-02-53(METHYLSULFANYL)7HSPIRO(CYCLOHEXANE16(124)TRIAZINO(56D)(31)BENZOXAZEPINE)
3METHYLSULFANYLSPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOHEXANE)
41384025
CSC1=NC2=C(C3=CC=CC=C3NC4(O2)CCCCC4)N=N1
InChI=1SC16H18N4OSc12215171413(192015)11734812(11)1816(2114)95261016h347818H256910H21H3
MFCD00683672
ZINC000000436412
ZINC00436412
ZINC436412
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