Vitas-M small molecule compound
4-phenyl-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525563
SMILES CC(Oc1ccc(cc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCCC3)C
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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 C34H34N4O2S MW 562.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O2S/c1-23(2)40-27-17-15-24(16-18-27)22-41-33-36-35-32-37(26-12-5-3-6-13-26)31(39)29-30(38(32)33)28-14-8-7-11-25(28)21-34(29)19-9-4-10-20-34/h3,5-8,11-18,23H,4,9-10,19-22H2,1-2H3InChIKey
SUVRTLYBJRMXRQ-UHFFFAOYSA-NSynonyms
1((4isopropoxybenzyl)thio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4phenyl1((4(propan2yloxy)benzyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(C)OC1=CC=C(C=C1)CSC2=NN=C3N2C4=C(C(=O)N3C5=CC=CC=C5)C6(CCCCC6)CC7=CC=CC=C74
InChI=1SC34H34N4O2Sc123(2)4027171524(161827)22413336353237(26125361326)31(39)2930(38(32)33)2814871125(28)2134(29)1994102034h358111823H49101922H212H3
MFCD01950059
ZINC000001897409
ZINC1897409
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