Vitas-M small molecule compound
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)piperazin-1-yl]ethanone
Catalog ID
STK686049
SMILES C=CCn1c2ccccc2c2c1nc(SCC(=O)N1CCN(CC1)C13CC4CC(C3)CC(C1)C4)nn2
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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 C28H34N6OS MW 502.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6OS/c1-2-7-34-23-6-4-3-5-22(23)25-26(34)29-27(31-30-25)36-18-24(35)32-8-10-33(11-9-32)28-15-19-12-20(16-28)14-21(13-19)17-28/h2-6,19-21H,1,7-18H2InChIKey
YUYAOWFFUUOLAY-UHFFFAOYSA-NSynonyms
1(4(1ADAMANTYL)PIPERAZIN1YL)2((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYL)ETHANONE
2((5(prop2en1yl)5H(124)triazino(56b)indol3yl)sulfanyl)1(4(tricyclo(3311~37~)dec1yl)piperazin1yl)ethanone
C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N4CCN(CC4)C56CC7CC(C5)CC(C7)C6
InChI=1SC28H34N6OSc1273423643522(23)2526(34)2927(313025)361824(35)3281033(11932)2815191220(1628)1421(1319)1728h261921H1718H2
MFCD06014387
ZINC000012363718
ZINC12363718
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