Vitas-M small molecule compound
N-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}-9H-xanthene-9-carboxamide
Catalog ID
STL528012
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)C1c2ccccc2Oc2c1cccc2
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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 C26H23N3O3S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3S/c30-23-11-5-8-20-17-12-16(14-29(20)23)13-28(15-17)26(33)27-25(31)24-18-6-1-3-9-21(18)32-22-10-4-2-7-19(22)24/h1-11,16-17,24H,12-15H2,(H,27,31,33)/t16-,17-/m1/s1InChIKey
SSBCVXDAJYUKNR-IAGOWNOFSA-NSynonyms
1212267-96-3~(N)((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioyl)9~(H)xanthene9carboxamide
1212267963
16398228
InChI=1SC26H23N3O3Sc3023115820171216(1429(20)23)1328(1517)26(33)2725(31)2418613921(18)32221042719(22)24h111161724H1215H2(H273133)t1617m1s1
MFCD03661190
N(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)9Hxanthene9carboxamide
N((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)9Hxanthene9carboxamide
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)C1c2ccccc2Oc2c1cccc2
ZINC000100750181
ZINC100750181
Check stock
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Check stock on Vitas-MAvailable files
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