Vitas-M small molecule compound
7'-amino-2'-(ethylsulfanyl)-2,4'-dioxo-1-(prop-2-yn-1-yl)-1,2,4',8'-tetrahydro-3'H-spiro[indole-3,5'-pyrido[2,3-d]pyrimidine]-6'-carbonitrile
Catalog ID
STK781288
SMILES CCSc1nc2NC(=C(C3(c2c(=O)[nH]1)c1ccccc1N(C3=O)CC#C)C#N)N
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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 C20H16N6O2S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O2S/c1-3-9-26-13-8-6-5-7-11(13)20(18(26)28)12(10-21)15(22)23-16-14(20)17(27)25-19(24-16)29-4-2/h1,5-8H,4,9,22H2,2H3,(H2,23,24,25,27)InChIKey
RLNNAHCXRAMATD-UHFFFAOYSA-NSynonyms
7amino2(ethylsulfanyl)24dioxo1(prop2yn1yl)1248tetrahydro3Hspiro(indole35pyrido(23d)pyrimidine)6carbonitrile
7AMINO2ETHYLSULFANYL24DIOXO1PROP2YNYLSPIRO(18DIHYDROPYRIDO(23D)PYRIMIDINE53INDOLE)6CARBONITRILE
7AMINO2ETHYLTHIO412DIOXO11PROP2YNYLSPIRO(358TRIHYDROPYRIDINO(23D)PYRIMIDINE53INDOLINE)6CARBONITRILE
CCSC1=NC(=O)C2=C(N1)NC(=C(C23C4=CC=CC=C4N(C3=O)CC#C)C#N)N
CCSc1nc2NC(=C(C3(c2c(=O)(nH)1)c1ccccc1N(C3=O)CC#C)C#N)N
InChI=1SC20H16N6O2Sc1392613865711(13)20(18(26)28)12(1021)15(22)231614(20)17(27)2519(2416)2942h158H4922H22H3(H223242527)
MFCD06014804
ZINC000004625224
ZINC000004625226
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