Vitas-M small molecule compound
3'-(prop-2-en-1-ylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Catalog ID
STK326307
SMILES C=CCSc1nnc2c(n1)OC1(CCCC1)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 C17H18N4OS MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4OS/c1-2-11-23-16-18-15-14(20-21-16)12-7-3-4-8-13(12)19-17(22-15)9-5-6-10-17/h2-4,7-8,19H,1,5-6,9-11H2InChIKey
VKXYHUFFIIWQKD-UHFFFAOYSA-NSynonyms
3(ALLYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE6SPIRO1CYCLOPENTANE
3(prop2en1ylsulfanyl)7Hspiro(cyclopentane16(124)triazino(56d)(31)benzoxazepine)
3PROP2ENYLSULFANYLSPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOPENTANE)
C=CCSC1=NC2=C(C3=CC=CC=C3NC4(O2)CCCC4)N=N1
InChI=1SC17H18N4OSc12112316181514(202116)12734813(12)1917(2215)9561017h247819H156911H2
MFCD02952140
ZINC000002113901
ZINC02113901
ZINC2113901
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