Vitas-M small molecule compound
1-(butylsulfanyl)-4-(3-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK836520
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-3-4-17-36-28-31-30-27-32(21-12-10-13-22(18-21)35-2)26(34)24-25(33(27)28)23-14-7-6-11-20(23)19-29(24)15-8-5-9-16-29/h6-7,10-14,18H,3-5,8-9,15-17,19H2,1-2H3InChIKey
AXXVXFPNBSPUKK-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4(3methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(butylthio)4(3methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4O2Sc13417362831302732(2112101322(1821)352)26(34)2425(33(27)28)2314761120(23)1929(24)158591629h67101418H3589151719H212H3
MFCD02240212
ZINC000009731626
ZINC9731626
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