Vitas-M small molecule compound
(6E)-6-({1-[4-(butan-2-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL233379
SMILES CCC(c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1)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 C28H32N6O3S MW 532.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N6O3S/c1-5-17(2)20-6-8-22(9-7-20)33-18(3)14-21(19(33)4)15-23-26(29)34-28(30-27(23)36)38-24(31-34)16-25(35)32-10-12-37-13-11-32/h6-9,14-15,17,29H,5,10-13,16H2,1-4H3/b23-15+,29-26-InChIKey
OZFZFOVRZJHEEP-IQUJYTIYSA-NSynonyms
847246-75-7(6E)6((1(4(butan2yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2(morpholin4yl)2oxoethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4(secbutyl)phenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2morpholino2oxoethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
847246757
CCC(c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1)C
MFCD04174767
ZINC000101127674
ZINC000101127680
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