Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270380
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)CSc1nc2c(s1)cccc2
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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 C28H23N5O2S2 MW 525.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O2S2/c1-28(2)12-18(34)23-19(13-28)35-26-24(22(23)16-8-4-3-5-9-16)25-31-21(32-33(25)15-29-26)14-36-27-30-17-10-6-7-11-20(17)37-27/h3-11,15,22H,12-14H2,1-2H3InChIKey
OTGCDTCNBJHEJI-UHFFFAOYSA-NSynonyms
848764-32-92((13benzothiazol2ylsulfanyl)methyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((benzo(d)thiazol2ylthio)methyl)99dimethyl12phenyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
848764329
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6S5)C7=CC=CC=C7)C(=O)C1)C
InChI=1SC28H23N5O2S2c128(2)1218(34)2319(1328)352624(22(23)168435916)253121(3233(25)152926)143627301710671120(17)3727h3111522H1214H212H3
MFCD04192769
ZINC000002428103
ZINC000002428104
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