Vitas-M small molecule compound
2-[3-(2-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
STK531186
SMILES C=CCNC(=S)NNc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)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)32-31-26-30-24-20-12-6-5-11-19(20)18-28(15-9-4-10-16-28)23(24)25(34)33(26)21-13-7-8-14-22(21)35-2/h3,5-8,11-14H,1,4,9-10,15-18H2,2H3,(H,30,31)(H2,29,32,36)InChIKey
JVEHBSIDJPPEPJ-UHFFFAOYSA-NSynonyms
1((3(2METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)AMINO)3PROP2ENYLTHIOUREA
2(3(2methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)N(prop2en1yl)hydrazinecarbothioamide
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NCC=C
InChI=1SC28H31N5O2Sc13172927(36)32312630242012651119(20)1828(1594101628)23(24)25(34)33(26)2113781422(21)352h3581114H149101518H22H3(H3031)(H2293236)
MFCD02242401
Nallyl2(3(2methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)hydrazinecarbothioamide
ZINC000001808334
ZINC01808334
ZINC1808334
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