Vitas-M small molecule compound
2-(6,12-dioxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-5(12H)-yl)-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Catalog ID
STL316404
SMILES O=C(/N=c\1/[nH]nc(s1)C)CN1C(=O)C2CCCCN2C(=O)c2c1cccc2
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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 C18H19N5O3S MW 385.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S/c1-11-20-21-18(27-11)19-15(24)10-23-13-7-3-2-6-12(13)16(25)22-9-5-4-8-14(22)17(23)26/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,19,21,24)InChIKey
VJOQTYHSWFSDSR-UHFFFAOYSA-NSynonyms
1401535-83-81401535838
2(612dioxo66a78910hexahydropyrido(21c)(14)benzodiazepin5(12H)yl)N((2Z)5methyl134thiadiazol2(3H)ylidene)acetamide
2(612dioxo78910tetrahydro6aHpyrido(21c)(14)benzodiazepin5yl)N(5methyl134thiadiazol2yl)acetamide
CC1=NN=C(S1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O
InChI=1SC18H19N5O3Sc111202118(2711)1915(24)102313732612(13)16(25)22954814(22)17(23)26h236714H45810H21H3(H192124)
MFCD28027794
O=C(N=c1(nH)nc(s1)C)CN1C(=O)C2CCCCN2C(=O)c2c1cccc2
ZINC000079479808
ZINC000079479811
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