Vitas-M small molecule compound
2-[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Catalog ID
STK532170
SMILES C=CCNC(=S)NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)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 C28H31N5O2S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S/c1-3-17-29-27(36)32-31-26-30-24-22-10-6-5-9-19(22)18-28(15-7-4-8-16-28)23(24)25(34)33(26)20-11-13-21(35-2)14-12-20/h3,5-6,9-14H,1,4,7-8,15-18H2,2H3,(H,30,31)(H2,29,32,36)InChIKey
ZAAZTGGCNWIMKF-UHFFFAOYSA-NSynonyms
1((3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)AMINO)3PROP2ENYLTHIOUREA
2(3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)N(prop2en1yl)hydrazinecarbothioamide
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NCC=C
InChI=1SC28H31N5O2Sc13172927(36)3231263024221065919(22)1828(157481628)23(24)25(34)33(26)20111321(352)141220h356914H14781518H22H3(H3031)(H2293236)
MFCD02234329
Nallyl2(3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)hydrazinecarbothioamide
ZINC000001889156
ZINC01889156
ZINC1889156
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