Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270616
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)CSc1nc3c(s1)cccc3)CC(CC2=O)(C)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 C29H25N5O3S2 MW 555.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O3S2/c1-29(2)12-19(35)24-20(13-29)37-27-25(23(24)16-8-10-17(36-3)11-9-16)26-32-22(33-34(26)15-30-27)14-38-28-31-18-6-4-5-7-21(18)39-28/h4-11,15,23H,12-14H2,1-3H3InChIKey
CMHMWCNZZBUXSO-UHFFFAOYSA-NSynonyms
2((13benzothiazol2ylsulfanyl)methyl)12(4methoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((benzo(d)thiazol2ylthio)methyl)12(4methoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6S5)C7=CC=C(C=C7)OC)C(=O)C1)C
InChI=1SC29H25N5O3S2c129(2)1219(35)2420(1329)372725(23(24)1681017(363)11916)263222(3334(26)153027)1438283118645721(18)3928h4111523H1214H213H3
MFCD04195695
ZINC000001271903
ZINC000001271904
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