Vitas-M small molecule compound
10-ethyl-10-methyl-5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK557005
SMILES CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)[N+](=O)[O-])SC
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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 C21H21N5O3S3 MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S3/c1-4-21(2)9-14-15(10-29-21)32-18-16(14)17-23-24-20(25(17)19(22-18)30-3)31-11-12-5-7-13(8-6-12)26(27)28/h5-8H,4,9-11H2,1-3H3InChIKey
KVFYHPUSSLCXLQ-UHFFFAOYSA-NSynonyms
577985-16-110ethyl10methyl5(methylsulfanyl)3((4nitrobenzyl)sulfanyl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
10ethyl10methyl5(methylthio)3((4nitrobenzyl)thio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
577985161
CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCc1ccc(cc1)(N+)(=O)(O))SC
CCC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=C(C=C5)(N+)(=O)(O))C
InChI=1SC21H21N5O3S3c1421(2)91415(102921)321816(14)17232420(25(17)19(2218)303)3111125713(8612)26(27)28h58H4911H213H3
MFCD04022062
ZINC000001842653
ZINC000001842654
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