Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-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
STK270855
SMILES COc1cc(ccc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)CSc1nc3c(o1)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 C30H27N5O5S MW 569.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O5S/c1-30(2)12-18(36)25-22(13-30)39-28-26(24(25)16-9-10-20(37-3)21(11-16)38-4)27-33-23(34-35(27)15-31-28)14-41-29-32-17-7-5-6-8-19(17)40-29/h5-11,15,24H,12-14H2,1-4H3InChIKey
SAQBUHDNGZXZCG-UHFFFAOYSA-NSynonyms
2((13benzoxazol2ylsulfanyl)methyl)12(34dimethoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((benzo(d)oxazol2ylthio)methyl)12(34dimethoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C7=CC(=C(C=C7)OC)OC)C(=O)C1)C
InChI=1SC30H27N5O5Sc130(2)1218(36)2522(1330)392826(24(25)1691020(373)21(1116)384)273323(3435(27)153128)1441293217756819(17)4029h5111524H1214H214H3
MFCD04192952
ZINC000001277551
ZINC000001277552
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