Vitas-M small molecule compound
N-[(2-{[3-amino-6-(thiophen-2-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide
Catalog ID
STK668033
SMILES O=C(C1CCCCC1)NCC1N(CCc2c1cccc2)C(=O)c1sc2c(c1N)ccc(n2)c1cccs1
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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 C29H30N4O2S2 MW 530.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S2/c30-25-21-12-13-22(24-11-6-16-36-24)32-28(21)37-26(25)29(35)33-15-14-18-7-4-5-10-20(18)23(33)17-31-27(34)19-8-2-1-3-9-19/h4-7,10-13,16,19,23H,1-3,8-9,14-15,17,30H2,(H,31,34)InChIKey
HIQBNKNMMOFFQD-UHFFFAOYSA-NSynonyms
C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C4=C(C5=C(S4)N=C(C=C5)C6=CC=CS6)N
InChI=1SC29H30N4O2S2c302521121322(24116163624)3228(21)3726(25)29(35)331514187451020(18)23(33)173127(34)198213919h471013161923H138914151730H2(H3134)
MFCD00472939
N((2((3amino6(thiophen2yl)thieno(23b)pyridin2yl)carbonyl)1234tetrahydroisoquinolin1yl)methyl)cyclohexanecarboxamide
N((2(3AMINO6THIOPHEN2YLTHIENO(23B)PYRIDINE2CARBONYL)34DIHYDRO1HISOQUINOLIN1YL)METHYL)CYCLOHEXANECARBOXAMIDE
ZINC000001443978
ZINC000098001159
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