Vitas-M small molecule compound
2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK061906
SMILES C#CCSc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCCC3
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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 C20H20N2OS MW 336.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2OS/c1-2-12-24-19-21-17-15-9-5-4-8-14(15)13-20(10-6-3-7-11-20)16(17)18(23)22-19/h1,4-5,8-9H,3,6-7,10-13H2,(H,21,22,23)InChIKey
NKYSCVCHOFSWQV-UHFFFAOYSA-NSynonyms
328070-56-02(PROP2YN1YLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2(prop2yn1ylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(PROPYNYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
2PROP2YNYLSULFANYLSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2PROP2YNYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
328070560
C#CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4
C#CCSc1nc2c3ccccc3CC3(c2c(=O)(nH)1)CCCCC3
InChI=1SC20H20N2OSc12122419211715954814(15)1320(106371120)16(17)18(23)2219h14589H3671013H2(H212223)
MFCD01557995
STK061906
ZINC000018116221
ZINC18116221
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