Vitas-M small molecule compound
N,N-dibutyl-2-{[5-oxo-4-(2-phenylethyl)-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK542543
SMILES CCCCN(C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CC(OC3)C(C)C)CCCC
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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 C31H41N5O3S2 MW 595.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N5O3S2/c1-5-7-15-34(16-8-6-2)26(37)20-40-31-33-32-30-35(17-14-22-12-10-9-11-13-22)28(38)27-23-18-24(21(3)4)39-19-25(23)41-29(27)36(30)31/h9-13,21,24H,5-8,14-20H2,1-4H3InChIKey
OAEZSUDWSRQCMP-UHFFFAOYSA-NSynonyms
CCCCN(CCCC)C(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2CCC5=CC=CC=C5
InChI=1SC31H41N5O3S2c1571534(16862)26(37)20403133323035(17142212109111322)28(38)27231824(21(3)4)391925(23)4129(27)36(30)31h9132124H581420H214H3
MFCD03292118
NNdibutyl2((5oxo4(2phenylethyl)7(propan2yl)4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
NNdibutyl2((7isopropyl5oxo4phenethyl5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
ZINC000100062027
ZINC000100062028
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