Vitas-M small molecule compound
4-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]phenyl thiocyanate
Catalog ID
STK337977
SMILES N#CSc1ccc(cc1)NC(=O)c1ccc2c(c1)OCCO2
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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 C16H12N2O3S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S/c17-10-22-13-4-2-12(3-5-13)18-16(19)11-1-6-14-15(9-11)21-8-7-20-14/h1-6,9H,7-8H2,(H,18,19)InChIKey
QEHLHNXRJPSAJY-UHFFFAOYSA-NSynonyms
(4(23DIHYDRO14BENZODIOXINE6CARBONYLAMINO)PHENYL)THIOCYANATE
2H3HBENZO(34E)14DIOXIN6YLN(4CYANOTHIOPHENYL)CARBOXAMIDE
4((23dihydro14benzodioxin6ylcarbonyl)amino)phenylthiocyanate
C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC#N
InChI=1SC16H12N2O3Sc171022134212(3513)1816(19)11161415(911)21872014h169H78H2(H1819)
MFCD06413892
ZINC000004539402
ZINC04539402
ZINC4539402
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